Projects

International

CERANEA – Multifunkčné hrubé povlaky keramik-grafén pre perspektívne aplikácie
Multifunctional ceramic/graphene thick coatings for new emerging applications
Program: ERANET
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Duration: 1.1.2018 – 31.12.2020
Vývoj nových pokročilých keramických kompozitov pre vesmírne aplikácie
Development of new advanced ceramic composites for aerospace industry
Program: Inter-academic agreement
Project leader: Ing. Tatarko Peter PhD.
Annotation: The main aim of the project is to strengthen the collaboration between two principal investigators in the field of the development of ultra-high temperature ceramics. This collaboration will lead to understanding of the influence of different rare-earth additives on the densification and mechanical properties of new ultra-high temperature ceramics. A purpose of the project is to enable the utilization of the laboratory equipmentfor the researchers from both partner groups. The project will contribute to the development of collaboration between young researchers. A difference between the researchorientations of the individual group is very promising for the innovative solutions of scientific problems. Mutual project represents a synergy in the activities of both institutions leading to an optimal utilization of the capacity of both partners. In addition, the exchange of “know-how” in the investigated area of material research will ensure the improved quality of the outputs of the project and the enhanced qualification of young researchers and PhD students.
Duration: 1.1.2018 – 31.12.2020
UltraCom – Vývoj nových vysokoteplotných kompozitných materiálov s keramickou matricou so zvýšenou oxidačnou/ablačnou odolnosťou pre vesmírne aplikácie
Development of new ultra-high temperature ceramic matrix composites with improved oxidatio/ablation properties for aerospace industry
Program: Bilateral – other
Project leader: Ing. Tatarko Peter PhD.
Annotation: The use of a new type of additives, combined with the use of new processing routes, opens up the possibility of developing new ultra-high temperature ceramic matrix composites (UHTCMC) with potentially improved oxidation and ablation properties. This multidisciplinary industrially oriented research proposal brings together very timely and highly original fundamental research with a commercial potential for aerospace applications, aimed at improving the lifetime and reliability of ceramics performing in extreme conditions. The ultimate aim of the project is to develop new ultra-high temperature ceramic coatings (UHTC) for ceramic matrix composites (CMC), such as Cf/SiC, SiCf/SiC and Cf/C using an innovative approach. It is expected that final materials (the combination of UHTC with CMC -UHTCMCs) will possess the significantly improved ultra-high temperature properties and long-term (up to several hours) thermo-chemical resistance. This will bring new knowledge in the fundamental research in the field and fulfil a commercial potential of these materials to be applied as Thermal Protection Systems of hypersonic and atmospheric re-entry vehicles, as well as different parts of different propulsion systems.
Duration: 1.11.2017 – 31.10.2020
CeramCom – New Generation Ultra-High Temperature Ceramic Matrix Composites for Aerospace Industry
New Generation Ultra-High Temperature Ceramic Matrix Composites for Aerospace Industry
Program: Horizon 2020
Project leader: Ing. Tatarko Peter PhD.
Annotation: This multidisciplinary industrially oriented research proposal brings together very timely and highly original fundamental research with a commercial potential for aerospace applications, aimed at improving the lifetime and reliability of ceramics performing in extreme conditions. The use of a new type of additives, such as rare-earth (RE) oxides with a small ionic radius of RE3+, combined with the use of new processing routes (new coating technique), opens up the possibility of developing new generation ultra-high temperature ceramic matrix composites (UHTCMCs). The project will push the boundaries of knowledge forward towards understanding the influence of RE additives on the properties of UHTCMCs by performing a systematic study using RE elements with different RE3+. Besides the new style of additives (RE), the project proposes new and innovative coating technique to develop new compositions of RE-ultra-high temperature ceramics (REUHTC) coatings for ceramic matrix composites (CMC). In this way, the final RE-UHTCMCs will be developed. The ultimate aim of the project is to develop novel RE-reinforced UHTCMC materials with significantly improved ultra-high temperature properties (above 2200°C) and long-term (up to several hours) thermo-chemical resistance. This will significantly improve the current state of the art. The application of these materials as thermal protection systems for hypersonic vehicles, and other areas of aerospace industry, is foreseen through the knowledge transfer to the industrial partner, Central R&T Airbus Defence and Space GmbH. This innovative scientific programme will provide an advanced training for the Fellow. Due to the involvement of one of the global leaders in aerospace industry (Airbus Defence and Space) into this proposal, the project will generate patents, industrial property rights, and high quality publications. This all will contribute to further personal development and international scientific recognition of the Fellow.
Duration: 1.6.2018 – 31.5.2020
JOINSIC – Spájanie moderných keramických materiálov na báze SiC
Joining of advanced SiC-based ceramic materials
Program: Bilateral – other
Project leader: Ing. Tatarko Peter PhD.
Annotation: The main aim of the project is to develop collaboration between participated researchers in the field of joining of advanced SiC-based materials. This collaboration will contribute to the understanding of the role of different joining materials for reaction and solid-state diffusion bonding with a SiC matrix. A purpose of the project is to enable the utilization of the laboratory equipment during the research stays for young scientists and PhD students from both partner institutes, i.e. Department of ceramics, Institute of Inorganic Chemistry (IICH) Slovak Academy of Sciences in Bratislava and Chinese partner Specialty Fibers and Nuclear Energy Materials Engineering Laboratory, Ningbo institute of Material Technology and Engineering (NIMTE), Chinese Academy of Sciences, China. Moreover, the project will contribute to the development of the collaboration between young researchers and PhD students. Common interest (joining of SiC) but different expertise and research approaches of both groups is very promising for the innovative solutions of the scientific problems. Therefore, mutual project represents a synergy in the activities of both institutions leading to an optimal utilization of the capacity of both partners. In addition, the exchange of experiences and knowledge in the investigated area of material research is anticipated resulting in the improved quality of the outputs of the project as well as the enhanced qualification of the young researchers and PhD students. It is expected that this newly established collaboration could contribute to the development of a new joining technique for different monolithic SiC materials that would be appropriate for both aerospace and nuclear applications where the component geometry allows.
Duration: 1.1.2018 – 31.12.2019
Vývoj a charakterizácia nových povlakov na báze sklo/keramika pre vysokoteplotné aplikácie
Development and characterization of a novel glass/ceramic coating systems for high temperatue applications
Program: Bilateral – other
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.1.2018 – 31.12.2019
GOLDCAT – Relativistické efekty v molekulových materiáloch založených na komplexoch zlata: katalytická aktivita, prenos protónov a NMR vlastnosti
Relativistic effects in molecular materials based on gold complexes: catalytic activity, proton transfer, and NMR properties
Program: Multilateral – other
Project leader: Dr. Malkin Oľga DrSc.
Annotation: This project – bringing a new topic into the already partially established A-SK-CZ network – will support a long-term collaboration between the partners in the field of computational chemistry with potential application in chemical catalytic processes and chemical industry.
Duration: 1.1.2017 – 31.12.2018
Transparentná oxidová keramika s dodatočnými optickými funkcionalitami
Transparent oxide ceramics with additional optical functionalities
Program: JRP
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.1.2016 – 31.12.2018
Využitie organo-modifikovaných vrstevnatých silikátov ako nosičov nanočastíc kovov
Immobilization of metal nanoparticles on organo-modified layered silicates
Program: Inter-academic agreement
Project leader: Ing. Pálková Helena PhD.
Annotation: Preparation of suitable supports for immobilization and stabilization of metallic nanoparticles is a very active research area, because of their potential in the field of catalysis or medical applications. Layered silicates, due to their specific physico-chemical properties, are considered a particularly promising group of such supports. The present project aims at the application of organo-modified layered silicates for immobilization/stabilization of metal nanoparticles. Metal nanoparticles will be anchored to the layered structure via several preparative methods, with aim to optimize their dispersion, size, shape, and content, i.e. factors which play a key role in shaping up functionality of composite material.
Duration: 1.1.2016 – 31.12.2018
Naša história z astrochémie
Our Astro-Chemical History
Program: COST
Project leader: prof. RNDr. Noga Jozef DrSc.
Duration: 26.11.2014 – 25.11.2018
NewTechAl – Nové technológie pri výrobe hliníka – Fyzikálno-chemické a elektrochemické skúmanie sľubných draselných kryolitových sústav
New technology in Aluminium production – Physicochemical and electrochemical investigation of promising potassium cryolite molten systems
Program: Bilateral – other
Project leader: Ing. Kubíková Blanka PhD.
Annotation: Submitted project deals with the physico-chemical and electrochemical analysis of KF-AlF3 electrolytes with low melting temperatures considered as electrolytes of a new generation for aluminium production process with application of “wetted” cathodes. The behavior of the KF electrolytes when melting as well as solubility of the alumina in these systems will be analysed with the aim to obtain detailed description of the processes running at aluminium production. The experiments will be supplemented by current efficiency experiments.
Duration: 1.1.2016 – 31.12.2017
Nová generácia biomimetických implantátov pre náhradu kostí
New generation biomimetic and customized implants for bone engineering
Program: COST
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Duration: 1.2.2014 – 31.10.2017
GRACE – Kompozity keramika-grafénové platničky pre využitie v tribologických systémoch pracujúcich vo vodnom prostredí
Graphene-ceramic composites for tribological application in aqueous environments
Program: ERANET
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Duration: 1.9.2014 – 31.8.2017
Ceramic coatings with glass fillers for high temperature corrosion protection of metals
Ceramic coatings with glass fillers for high temperature corrosion protection of metals
Program: Bilateral – other
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.1.2014 – 31.12.2016
Pokrok vo vývoji a aplikáciách balíka NMR spektroskopie pre paramagnetické systémy. Kombinovaný experimentálno-teoretický prístup (pNMR)
Pushing the envelope of nuclear magnetic resonance spectroscopy for paramagnetic systems. A combined experimental and theoretical approach (pNMR)
Program: FP7
Project leader: Dr. Malkin Vladimír DrSc.
Annotation: A network combining 9 academic research groups and collaborating industrial companies is proposed to train the next generation of PhD students and post-doctoral researchers, in developing and applying novel experimental and theoretical methods in the NMR spectroscopy of systems containing paramagnetic metals. The assembled team, with researchers distributed throughout the EU, will investigate a variety of important problems in chemistry and biology including catalysts, battery materials, metalloproteins and large protein-protein assemblies. The researchers will be trained to attack key problems that prevent the widespread usage of NMR spectroscopy as applied to paramagnetic materials, and to develop new methods to improve significantly the structural and electronic information that can be obtained from these systems. Three experimental and theoretical work programs are proposed, which build on, but also move significantly beyond the recent advances in pNMR, many of which have originated from members of this network: i) developing materials, ii)extending the fundamental theoretical understanding of pNMR parameters, and facilitating their quantum-chemical implementations in first-principles software; iii)attacking relevant chemical and biological problems, with novel techniques to determine structure (e.g. of insoluble proteins and disordered battery electrode materials), Dynamics and reactivity around metal centres, and exploring interactions between, e.g., biomolecules, catalytic centres and supports. Integral to the research-based training programme is the series of workshops, practical training courses, international conferences, and outreach actions, located at the different sites. These will i) train the young researchers of the network in the basics of pNMR and ii) disseminate the results of the network to the larger NMR comunity and to the general public.
Duration: 1.1.2013 – 31.12.2016
BioKer – Vývoj kompozitných keramických materiálov pre bioaplikácie
Development of ceramics composites materials for bio-applications.
Program: Inter-governmental agreement
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Annotation: The use of silicon nitride in bio-applications is timely and very prospective topic especially in last five years and there are some studies which confirmed the possibility of using silicon nitride as human bone implants. This project deals with the preparation of ceramic structures with relatively large pores and whereas the bone structure reminds of sponge or whereas porosity of Si3N4 is controlled by tape casting method. The main aim of the project is the preparation of the silicon nitride based composite with defined porosity modified by the surface layer of hydroxyapatite which is suitable for bio-applications. The optimisation of the preparation will be focused mainly on the mechanical properties which should be similar to human bone and on enhancement the bioactivity by application of the bioactive surface layer. The material, which will be produced by foam replica method, should fulfil following requirements: average pore size from 80 μm do 150 μm, defined porosity close to 50% and strength about 100 MPa. On the other side, the material, that will be produced by tape casting method, should fulfil following requirements: a functionally graded porous structure including micro (≥ 1 µm) and macro (≥ 100 µm) pore sized tapes and defined porosity less than % 50
Duration: 1.9.2013 – 31.12.2016
Building-up Centre of Excellence for advanced materials application — CEMEA
Building-up Centre of Excellence for advanced materials application — CEMEA
Program: Horizon 2020
Project leader: doc. Ing. Boča Miroslav DrSc.
Annotation: CEMEA project´s main objective in the long run is to establish a joint Centre of Excellence foradvanced materials application (CEMEA) based on long-term strategic cooperation betweenVTT Technical Research Centre of Finland and University of Helsinki (Finland) on the one handand Slovak Academy of Sciences (Slovak) on the other. The rationale behind this project is toensure sustainable financing and quality of research in the field of advanced materials in Slovakiaas one of Key Enabling Technologies (KETs). Our goal is to bring and nurture the culture ofexcellence in Slovakia and to leverage support under HORIZON 2020 and other available fundingopportunities. CEMEA project aligns with Smart Specialization Strategy of the Slovak Republic byfocusing on areas of specialisation based on best available scientific and research capacities(identified in RIS3) – in particular on research of advanced materials and nanotechnology,biomedicine, biotechnology and sustainable energy as application areas for advanced materials.Results of the new CEMEA Centre´s research will be applicable in areas of economic specialisationidentified in RIS3 of the Slovak Republic (Automotive and mechanical engineering industries,Consumer electronics and electrical equipment, ICT and Services).
Duration: 1.6.2015 – 30.6.2016
Nové anorganické fosfory bez obsahu prvkov vzácnych zemín pre energeticky úsporné osvetľovacie zdroje
New rare earth-free inorganic phosphors for energy-saving lighting applications
Program: Inter-governmental agreement
Project leader: prof. Ing. Galusek Dušan DrSc.
Annotation: The most promising light source of the future are high brightness light emitting diodes (HB-LED), with theoretical luminous efficiency up to 350 lm/W. At present, rare earth elements (RE) represent a fundamental building stone of luminescent materials (inorganic phosphors), which are the key material for construction of light-emitting part of the diode. Recent dramatic increase of price, market shortages in supplies of the RE, and their limited resources, caused that the use of RE threatens to become a technological, and economical bottleneck in production of HB-LED. The project deals with development of new types of low content or RE-free inorganic phosphors for HB-LED or passive light sourced (PLS) based on calcium aluminate, calcium aluminosilicate or zinc silicate glassy host matrix doped with d-elements (transition metals, e.g. Cr, Mn, Bi, Ni) as luminescent-active additives. Due to radiative electron transitions in the valence (d-sphere) of these elements the wavelength and intensity of emitted light can be tuned through variation of coordination environment of luminescent-active ions, e.g. by controlled crystallization of the host matrix, which will be achieved through application of specific optimized heating regimes on doped glasses prepared by flame spray pyrolysis. Fully transparent/luminescent glass or glass ceramics, applicable as inorganic phosphor for HB-LED, and PLS used in energy saving lighting appliances are expected to result from the project.
Duration: 1.1.2013 – 31.12.2015
Organo-íly ako medzistupeň pre prípravu nových hybridných materiálov s funkčnými vlastnosťami
Organo-clays as intermediates for the synthesis of functional hybrid materials
Program: Inter-academic agreement
Project leader: Ing. Pálková Helena PhD.
Annotation: The project aims at application of organoclays as basis for preparation of supports used for immobilization/stabilization of metal nanoparticles. Dispersed metal nanoparticles play an important role in different catalytic reactions, biomedical applications etc. Clay minerals will be modified with different organic compounds of cationic nature and metal nanoparticles will be incorporated into the layered structure via several experimental methods. Functionality of such materials relies on their ability to produce metal particles of defined size, shape, composition and accessibility.This project is devoted to the optimization of the synthesis conditions required for preparation of organo-modified clay minerals suitable as precursors for incorporation of metal nanoparticles.
Duration: 1.1.2013 – 31.12.2015
IPROX – Potenciálny vplyv draslíka a rubídia na prípravu oxyfluorohlinitanových komplexov v tuhom stave
Potential influence of potassium and rubidium on the formation of oxofluoroaluminates in solid state
Program: Bilateral – other
Project leader: Ing. Šimko František PhD.
Annotation: The proposed project is focused on the study and investigation of MF-AlF3-Al2O3 moltensystems (M = K and Rb), theirs ionic composition and chemical behaviour. These electrolytesare considered as electrolytes of a new generation for aluminium production process. The similarinvestigation and discussion about the structure of electroactive species in standard usedsodium electrolytes (NaF-AlF3-Al2O3) is running more than 70 years up to now, and it is still notfinished. This indicates possible complexity of the matter to get full insight to the structure ofelectrolyte and the behavior of its electroactive species. Such an investigation, to our knowledge,was not yet successfully done. The utilization of new high resolution spectral technique like NMRspectroscopy could bring new insight and substantial progress to the matter.
Duration: 1.1.2014 – 31.12.2015
FUNEA – Nitridové materiály s funkčnými vlastnosťami pre aplikácie v energetike
Functional nitrides for energy applications
Program: FP7
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Annotation: The core concept of the FUNEA is the training-through-research within the framework of individual research sub-projects with clearly defined training topics and career development goals set in personal Career Development Plans (CDPs). The FUNEA specifies the training topics, which are topics of the PhD thesis (for ESRs) or postdoctoral studies (for ERs), in the research sub-programmes. The latter have been interlinked thought common applications areas, same material classes as well as similar methodologies. Research objectives of sub-project is based on the syntheses, manipulation, characterization, understanding and modelling of 1) perovskite nitrides and oxonitrides with piezoelectric properties, 2) nitride-based ceramic membranes with high thermal and chemical stability for the high-temperature hydrogen purification, 3) ternary nitrides and SiAlON-based light emitting phosphors for LEDs, 4) new BN-based materials for hydrogen storage, 5) silicon nitride-based (i.e. Si(O,C)N, Si3N4, SiAlON) porous ceramic components with high thermal and chemical stability for the filtering of gas containing particulate or chemicals (odours, moisture, pollutants), 6) nitride-based macro-porous ceramic substrates as supports for gas separation membranes, 7) N-doped Si-C-N-O mixed anion systems for electro/optical gas sensors for harsh environments.
Duration: 1.1.2011 – 31.1.2015
SolarGradeSilico – Fyzikálno-chemická analýza fluoridových taveninových systémov pre elektrolytické vylučovanie kremíka pre fotovoltaické aplikácie
Physico-chemical analysis of molten fluoride systems for electrowining of solar grade silicon
Program: Bilateral – other
Project leader: Ing. Korenko Michal PhD.
Annotation: High price of solar grade silicon caused by limited supply has become the bottlenecks of thephotovoltaic industry to achieve its much anticipated growth. It is thus essential to develop amethod for synthesis of solar silicon which is energy efficient and will deliver inexpensive feedstock material. As a promising approach, the electrodeposition of silicon from fluoride based electrolytes at relatively low temperature (1000°C), similar method to Hall–Héroult process for Al productionhas been investigated by different researchers. In spite of lots of this, the electro deposition ofsilicon production has not been commercialized yet. One of the main barriers is the lack ofinformation on physiochemical and thermodynamic properties of the electrolytes.Proposed project deals with a study (physico-chemical properties, spectral analysis andthermodynamic) of different silica – fluoride systems (mainly cryolite based). The project is primaryaimed to physico-chemical investigation of different molten fluoride systems (density, viscosity,electrical conductivity and vapor pressure). Another part of the project is a preparation and studyof solidified melts (whether spontaneously or rapidly cooled by RSP technique). The solid samples will be analyzed by different spectral techniques like XRD, IR and Raman spectroscopy and SEMEDX.
Duration: 1.6.2013 – 31.12.2014
Alternatívne materiály a zariadenia pre komponenty do púmp
Alternative Werkstoffe fur Pumpenkomponenten
Program: Bilateral – other
Project leader: doc. RNDr. Drábik Milan CSc.
Duration: 1.2.2011 – 31.12.2013
Keramické nanokompozity pre aplikácie v extrémnych prostrediach
Ceramic Nanocomposites for Applications in Extreme Environments
Program: Bilateral – other
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Annotation: Novel Hafnium Nitride- and Hafnium Diboride-Based Ceramic Nanocomposites – Preparation and High-Temperature Behaviour in Harsh Environments.
Duration: 1.1.2012 – 31.12.2013
RelMag – Kvantovo-chemické výpočty magnetických vlastností rôznych chemických zlúčenín so zahrnutím relativistických efektov
Quantum-chemical calculations of magnetic properties of various chemical compounds with inclusion of relativistic effects
Program: Inter-governmental agreement
Project leader: Dr. Malkin Vladimír DrSc.
Duration: 1.1.2012 – 31.12.2013
TERMOSK – Termodynamické modely a štruktúra viaczložkových skiel
Thermodynamic models and structure of multi-component glasses
Program: Inter-governmental agreement
Project leader: doc. Ing. Chromčíková Mária PhD.
Duration: 1.1.2012 – 31.12.2013
Atomárne aspekty pokročilých materiálov na báze cementu
Atomic level aspects of advanced cementitious materials
Program: Bilateral – other
Project leader: doc. RNDr. Drábik Milan CSc.
Annotation: – Ozrejmiť úlohu taumazitu v síranovej korózii betónov. Výskum je orientovaný ako na vývoj analytických metodológií s potenciálom pre stanovenie prítomnosti a obsahu taumazitu v betónoch, tak aj na kritické zhodnotenie rizík taumazitovej síranovej korózie betónov v klimatických podmienkach Slovenska.
Duration: 1.1.2008 – 31.12.2012
Keramické nanokompozity na báze oxidu a nitridu hafničitého so zlepšenou vysokoteplotnou oxidačnou a koróznou odolnosťou
Hafnia- and Hafnium Nitride-Based Ceramic Nanocomposites with Improved High-Temperature Oxidation and Corrosion Resistance
Program: Inter-academic agreement
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Duration: 1.1.2010 – 31.12.2012
MSOI – Molekulové simulácie vybraných organoílov – charakterizácia štruktúry a vlastností
Molecular simulations of selected organoclays – characterization of structure and properties
Program: Bilateral – other
Project leader: Ing. Scholtzová Eva CSc.
Annotation: Subject of this project is organoclays and using methods of computational chemistry for their study. Organoclays are organically modified clay minerals prepared by intercalation-changeable way from natural clays, mainly smectites. Clay minerals are widely applicable because their ability to swell, to change interlayer cations, large sorption capacity, large specific surface, catalytic properties, plasticity, formation of intercalated compounds and thixotropic mixtures. Organoclays are also used at the environmental protection as the active sorbents and the filter materials. They are also used in nanotechnologies to obtain new materials called polymer nanocomposites, which have miscellaneous use. Due to the hydrophobic character of polymers it is necessary the modification of these clays, that means to change the hydrophilic character of the smectite surface to the hydrophobic one. The organic cations are used for this purpose. The clay-intercalated organic cation bonding interactions are then critical for essential understanding of the intercalation process, creating and stability of the organoclays and their properties. Considering chemical composition and many times complicated structure of the organoclays it is sometimes difficult to interpret obtained experimental data properly. In that case they can help in the large extent the theoretical computational methods applied to the suitable and representative models of the organoclays. It allows obtain useful information about the structure, stability, energetic circumstances and physical-chemical properties of the studied models. This project is focused to the use of the methods of the computational chemistry for studying of the structure, properties and interactions of the organic cations in the interlayer space of the clay mineral and for analysing of the spectroscopic data of the organoclays. The experiences, knowledge and computational capacities of the both partner sides will be used in this project.
Duration: 1.1.2011 – 31.12.2012
Pórovité anorganické materiály pripravené z vrstevnatých silikátov – syntéza, stabilita a funkčnosť
Porous inorganic materials based on layered silicates – synthesis, stability, and functionality
Program: Inter-academic agreement
Project leader: RNDr. Madejová Jana DrSc.
Annotation: Surfactant templated syntheses have been successfully applied to the preparation of mesoporous materials based on the layered silicate minerals. Development of mesoporous solids from clay minerals, termed as porous clay heterostructures (PCHs) is a very active research area because of their potential applications as catalysts and adsorbents. The resulting properties of mesoporous structures depend on the conditions applied during the synthesis process. Thus tuning of the nature and/or concentration of surfactants and factors such temperature, stirring and heating time are very often key points for their design. This project is devoted to the optimalization of the synthesis conditions of porous materials based on clay minerals and to the investigation of their stability in various environments and functionality with selected heteroatom.
Duration: 1.1.2010 – 31.12.2012
Príprava a charakterizácia nanokompozitných keramických materiálov na báze Al2O3 a Si3N4 pre rezanie ťažko obrábateľných materiálov
Preparation and characterization of alumina and silicon nitride-based nanocomposites for cutting of hard-to machine materials
Program: Inter-academic agreement
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Duration: 1.1.2010 – 31.12.2012
Uhlíkovými vláknami a nanotrubkami spevnené a zhúževnatené keramické materiály určené pre aplikácie pri extrémne vysokých teplotách
High strength and toughness ultra high temperature ceramics reinforced by fibers and carbon nanotubes
Program: Inter-academic agreement
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Duration: 1.1.2010 – 31.12.2012
Fluorescenčné hybridné vrstevnaté materiály
Hybrid layered materials with fluorescent properties.
Program: Inter-academic agreement
Project leader: prof. RNDr. Bujdák Juraj DrSc.
Duration: 1.1.2009 – 31.12.2011
SATAPO – Super tvrdé a tepelne odolné jemné prášky a povlaky boridov nióbu a tantalu: príprava, vlastnosti, použitie
Superhard and heat-resistant fine powders and coatings of niobium and tantalum borides: obtaining, properties, application
Program: Bilateral – other
Project leader: doc. Ing. Boča Miroslav DrSc.
Annotation: The aim of the project is the investigation of high-temperature electrochemical synthesis of niobium and tantalum borides in the form of fine superhard heat-resistance powders from ionic melts depending on temperature, cathodic current density and duration of process, and also relations of these parameters with deposition rate, physico-chemical properties of deposits will be investigated. Synthesis realizes as result of refractory metal and boron electro reduction reactions and interaction between this metal and boron on cathode with the forming of borides. Electrochemical deposition consists in electrolysis oj niobium, boron and tantalum compounds at temperature 750-850oC and cathodic current density of 1.0-1.8 A/m2 and voltage 1.5-4.5 V.
Duration: 4.1.2010 – 31.12.2011
Nízkoteplotná príprava Si3N4 substrátov s vysokou tepelnou vodivosťou
Low Temperature Preparation of High Thermal Conductivity Si3N4 Substrates
Program: Inter-academic agreement
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.1.2010 – 31.12.2010
Nové hybridné materiály založené na fluorescenčných polyméroch vo vrstvách anorganických nosičov
New hybrid materials based on fluorescent polymers on inorganic carriers
Program: Inter-academic agreement
Project leader: prof. RNDr. Bujdák Juraj DrSc.
Annotation: The objective of this project is to set the basis for the development of novel luminescent materials based on nanocomposites with both the organic and inorganic components. Organic component would represent luminescent polymers, which would be embedded in an inorganic matrix. The inorganic component would be optically inactive, but its structure is assumed to significantly affect the properties of polymer.The properties of such hybrid materials are considered to be different from those of individual components. Optical properties, such as light absorption spectra and fluorescence are expected to change dramatically. We have observed similar changes in less complex systems based on layered silicates intercalated with organic dyes of low molecular weights. Integration of the polymer chains in the confined structure may affect its mobility, resistance against chemical decomposition and stabilization, dichroic properties due to structural alignments of polymer chains, directional properties of energy transfer processes, etc.
Duration: 1.1.2008 – 31.12.2010
Anizotropné tenké filmy hybridných materiálov organických farbív a vrstevnatých kremičitanov s luminiscenčnými vlastnosťami
Anisotropic fluorescent thin films based on organic dyes embedded in layered inorganics
Program: Inter-academic agreement
Project leader: prof. RNDr. Bujdák Juraj DrSc.
Annotation: The project is based on experimental work which is based on two main research objectives: 1. To prepare preferentially oriented thin films composed from layered inorganic host materials with fluorescent dyes intercalated in two-dimensional interlayer spaces. 2. To control the arrangement and molecular aggregation of dye molecules in the films in order to achieve optimal functionality related to high-efficient and anisotropic fluorescent emission. Project results would be a good starting point for further development of novel type of materials for solid state lasers.
Duration: 1.4.2008 – 31.3.2010
PolyCerNet – Multifunkčná nanokeramika pripravená z polymérov s vopred určenými vlastnosťami
Tailored Multifunctional Polymer-derived nanoCeramics
Program: FP6
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Annotation: The project will focus on new multifunctional ceramic materials with tailored nanostructure obtained through polymer pyrolysis (PDCs) by establishing and creating a network of 8 European academic research groups with proven and renown complementary expertise willing to study new multifunctional PDCs with tailored nanostructure and having the main scientific objective of developing new PDCs based products and the training objective of providing high-quality training for early-stage and experienced researchers.
Duration: 1.1.2006 – 31.12.2009
Nové pórovité materiály na báze vrstevnatých silikátov
Novel porous materials based on layered silicates
Program: Inter-academic agreement
Project leader: RNDr. Madejová Jana DrSc.
Annotation: Porous substances represent the most important class of catalysts, catalyst supports and adsorbents, and are widely employed in various branches of industry. Recently, a novel class of porous solids, known as mesoporous molecular sieves (MMS) with tailored pore size distribution and surface properties, has attracted a great deal of attention. Layered silicates represent potentially very attractive source materials for MMS template synthesis, because their surface can be organically modified by ion exchange, adsorption or silylation. This project is devoted to the design, preparation, characterization and exploration of adsorptive/catalytic properties of novel mesoporous materials based on natural and/or synthetic layered phyllosilicates.
Duration: 1.1.2007 – 31.12.2009
ESMFS – Štúdium roztavených fluoridových sústav zaujímavých pre chladiace systémy v pokročilých vysokoteplotných reaktoroch.
Experimental study of molten fluoride salts as coolants in Advanced High Temperature Reactors.
Program: Bilateral – other
Project leader: Ing. Šimko František PhD.
Annotation: The submitted project is focused on the specification of the ionic structure of fluoride melts based of RbF, which are candidates as coolants in Advanced High Temperature Reactor – AHTR. The study of molten salts as coolants and heat-transport medium is interesting for nuclear energy and hydrogen economy. Its application can be extended in the whole spectrum of energetic, industrial and other high-temperature processes. Proposed project deals with study of fluoride systems based on RbF, like LiF – RbF, FLiNaK(LiF – NaF – KF), LiF – NaF – RbF, as well as of potentially promising fluoride systems NbF5 – RbF and TaF5 – RbF. The project is primary based on the study of the structure and chemistry inside the molten media using by in-situ high-temperature NMR spectroscopy. Another part of the project is the preparation and study of deeply under cooled melt prepared by rapid solidification processing. The rapid solidified samples will be analyzed by MAS NMR spectroscopy, IR spectroscopy, X-ray diffraction analysis and SEM EDX analysis.
Duration: 1.2.2008 – 31.12.2009
SfP – NEW ARMOUR – Transparentné panciere s nízkou hmotnosťou
Light weight and transparent armours
Program: NATO
Project leader: prof. Ing. Galusek Dušan DrSc.
Annotation: The principal problem addressed by the project is the development of practical material, technological, and construction solutions of a new generation of transparent armour systems with low weight ( 80 kg/m2) and the protection capacity against AP small calibre ammunition comparable to recently produced thick layered armour concepts made of strengthened float glass.
Duration: 1.3.2006 – 31.3.2009
Atomárne aspekty pokročilých materiálov na báze cementu
Atomic level aspects of advanced cementitious materials
Program: Bilateral – other
Project leader: doc. RNDr. Drábik Milan CSc.
Annotation: The programe seeks at its outset to focus on two highly strategic aspects of cement chemistry: i) Generation of a coherent theory and scientifically based processing parameters in the field of MacroDefectFree (MDF) materials. ii) Coordinated and expert approach to the systematic study of the science of the thaumasite formation in sulphate attack (TSA) of concretes.
Duration: 1.7.2003 – 31.12.2008
Charakteristika a mechanické vlastnosti SiCO keramiky
Characterisation and mechanical properties of SiCO ceramics
Program: Inter-governmental agreement
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Annotation: The personnel exchange is planned as part of the multilatelar European Commission Human Resources and Mobility Activity (Call: FP6-2004-Mobility-1) project "Tailored Multifunctional Polymer-derived nano Ceramics" abbreviated as Polycernet. The funding of the project has been approved under the contract No MRTN-CT-019601.The project is based on joint research activities of 17 research teams from 5 countries (Austria, France, Germany, Italy, Romania, and Slovak Republic).The scientific objectives of PolyCerNet is to create molecularly-tailored, nanostructured ceramics with unusual multifunctional properties, including photo and electroluminescence, semiconductivity and many kinds of gas-solid interactions, for example sensing, catalysis, and molecular sieving. In addition these novel, polymer-derived ceramics, or PDCs, will have high resistance to oxidation, degradation, corrosion and deformation at temperatures above 1400oC. The training and knowledge-transfer objective of PolyCerNet is to create leaders who would move forward the cutting edge of science, technology and industrial development of multifunctional polymer-derived nanoceramics. The Consortium will inculcate these leadership skills by synergistic interactions among all experienced and early stage researchers (ERs and ESRs).
Duration: 1.1.2007 – 31.12.2008
FUNMIG – Základné procesy migrácie rádionuklidov
Fundamental processes of radionuclide migration
Program: FP6
Project leader: Dr. Malkin Vladimír DrSc.
Annotation: Main objectives are the fundamental understanding of radionuclide migration processes in the geosphere, the application to performance assessment and communication of the results. The project tackles one of the main challenges for a sustainable European energy mix, namely scientific and social credibility of geological nuclear waste disposal. Fundamental processes are covering key radionuclide transport and retardation processes at the molecular level. This molecular level understanding is moved forward into studies on the host rocks being considered in Europe (clay, granite, salt). The knowledge acquired throughout the project is brought forward to the general scientific community and broader stakeholder communities by active training, knowledge transfer and dissemination. The IP FUNMIG is innovative in the scientific approach to the fundamentals of radionuclide migration processes, where cutting-edge analytical and spectroscopic techniques are combined with advanced molecular and numerical modeling. The process of up-scaling methodology proposed in the host rock components is extremely innovative and tackles highly fundamental scientific challenges. The participation and strong financial commitment of Waste Management Agencies ensures proper technology transfer and application feedback.
Project webpage: http://www.funmig.com/
Duration: 1.1.2005 – 31.12.2008
Príprava a tepelno-elektrické vlastnosti ternárnych nitridov na báze kremíka
Processing and Properties of Si-based Ternary Nitrides as Sintering Additives and Phosphors
Program: Bilateral – other
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Annotation: no description
Duration: 1.4.2006 – 31.3.2008
SMART – Vízia aplikovateľnosti technológie založenej na multifunkčných materiáloch
Foresight Action for Knowledge Based Multifunctional Materials Technology
Program: FP6
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Annotation: no description
Duration: 1.1.2005 – 31.12.2007
K novej úrovni presnosti pri počítaní molekulárnej štruktúry, molekulových vlastností, spektroskopických parametrov a termochémie
Towards a new level of accuracy in computations of molecular structure, molecular properties, spectroscopy and thermo-chemistry
Program: COST
Project leader: prof. RNDr. Noga Jozef DrSc.
Annotation: no description
Duration: 1.8.2002 – 31.3.2007
a-sialony s mikroštruktúrou s predĺženými zrnami vhodné na aplikácie náročné na oter
aSiAlON with needle-like microstructure for wear applications
Program: Inter-academic agreement
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Annotation: no description
Duration: 1.1.2003 – 31.12.2006
Chemická evolúcia vzniku prekurzorov peptidov a aminokyselín z anorganických látok na zemi
The chemical evolution of inorganic substances to amino acids, peptides and protein precursors on the primordial earth
Program: Bilateral – other
Project leader: prof. RNDr. Bujdák Juraj DrSc.
Annotation: no description
Duration: 1.1.2002 – 31.12.2006
Kvantovo-chemický výskum elektrónovej štruktúry a magnetických vlastností
Quantum chemical studies of electronic structure and magnetic properties
Program: Inter-academic agreement
Project leader: Dr. Malkin Vladimír DrSc.
Annotation: no description
Duration: 1.1.2004 – 31.12.2006
Nové ílovo – nanopolovodičové hybridy
New Clay – Nanosemiconductive hybrids
Program: Inter-governmental agreement
Project leader: RNDr. Komadel Peter DrSc.
Annotation: no description
Duration: 1.1.2005 – 31.12.2006
Štruktúra a rozpustnosť komplexov nióbu: vysoko-teplotná NMR a vysoko-rozlišovacia MAS NMR spektroskopia systému KF-K2NbF7-Nb2O5
Structure and solubility of niobium complexes: high temperature and high resolution solid state NMR study of the system
Program: Inter-academic agreement
Project leader: Ing. Šimko František PhD.
Annotation: no description
Duration: 1.1.2005 – 31.12.2006
Chemické vplyvy II
Chemical effects II.
Program: Inter-institute agreement
Project leader: prof. Ing. Liška Marek DrSc.
Annotation: no description
Duration: 1.6.2005 – 31.7.2006
Chémia lantonidov pre diagnostiku a terapiu
Lanthanide Chemistry for Diagnostic and Therapy
Program: COST
Project leader: Dr. Malkin Vladimír DrSc.
Annotation: no description
Duration: 1.10.1999 – 31.3.2006

National

WLEDMAT – Nové sklenené a sklokeramické fosfory na báze hlinitanov vzácnych zemín pre aplikácie v pevnolátkových energiu šetriacich svetelných zdrojoch vyžarujúcich biele svetlo (pc-ELED diódy)
Novel glass and glass-ceramic rare-earth aluminates-based phosphors for energy-savin solid state lighting sources emitting while light (pc-WLEDs)
Program: SRDA
Project leader: prof. Ing. Galusek Dušan DrSc.
Annotation: The project is focused on research and development of novel glass and glass-ceramic rare-earth aluminates-based luminescent materials for white light-emitting diodes (pc-WLED), especially materials with efficient red emission, which could improve CRI index compared to the known commercially produced phosphors. Phosphors will be prepared in the form of glass microbeads. The structure of un-doped alumninate glasses in the system Al2O3-RE2O3 will be studied by spectroscopic methods. Thermal properties and kinetics of crystallization will be also studied. In order to preparer glass-ceramics materials with required properties, the conditions of crystallization process will be investigated and optimized. Photoluminescence properties of glass and glass-ceramic rare-earth and transition metal ions doped materials will be studied in detail. Special attention will be paid to study of relations between luminescent properties of materials and their structure and morphology. In final stage of the project, the composite PiG materials (Phosphor in Glass) will be prepared and characterized as thin plates suitable for direct application onto excitation LED chip. A LED diode emitting white light/warm white light will be contracted using the LED chip with suitable excitation wavelength in the NUV spectral range and prepared PiG composite with optimised thickness, so that optimal emission characteristic will be achieved.
Duration: 1.8.2018 – 31.7.2022
PyrMat – Vývoj žiaruvzdorných pyrochlórnych fáz pre vysokoteplotné aplikácie neoxidovej keramiky
Development of refractory pyrochlore phases for high temperature applications of non-oxide ceramics
Program: SRDA
Project leader: Ing. Tatarko Peter PhD.
Annotation: The project proposes a new and innovative approach to develop diboride ceramics. This will be achieved by the incorporation of a new style of additives, rare earth elements, into the transition metal diboride ceramics that would form refractory pyrochlore phases in the oxide layer during the exposure of the materials in oxidizing environments at very high temperatures. The project relies on the fact that the presence of the pyrochlore phases will increase immiscibility and viscosity of the in-situ formed glass layer during oxidation. This, along with the refractory nature of the pyrochlore phases, will stabilise the oxide layer and significantly reduce the oxidation kinetics. By performing a systematic study, the project will acquire new knowledge on the influence of different types and amounts of rare earth additives on the densification, microstructure and phase evolution, and mechanical properties of ceramic materials for thermal protection systems and other applications in aerospace industry. The ultimate aim of the project is to develop a new diboride ceramics with significantly improved oxidation and ablation resistance due to a unique material composition. The output of the project will be a clarification of the formation of pyrochlore phases, their distribution in the final oxide layer, and at the end their effect on the high temperature properties.
Duration: 1.8.2018 – 30.6.2022
Fluoridové taveninové systémy s potenciálom využitia v elektrochemickej výrobe hliníka
Fluoride melts with potential applications in electrochemical aluminum production
Program: VEGA
Project leader: Ing. Šimko František PhD.
Annotation: Predkladaný projekt je zameraný na fázovú a štruktúrnu analýzu systémov MF-AlF3 (M = Na, K a Rb) sprídavkom Al2O3, s potenciálom využitia pri elektrochemickej výrobe hliníka. Ide o tzv. nízko teplotné elektrolyty,ktorých výskum v poslednej dobe vzrástol s vývojom tzv. „inertných“ elektród, aplikovateľných do procesuvýroby. Cieľom projektu bude definovať fázové zloženie systémov a identifikovať jednotlivé zložky. Tie budúpodrobené štúdiu tepelnej stability, spektrálnej a difrakčnej charakterizácii s cieľom zistiť závislosť medzištruktúrnymi parametrami (ako napr. polomerov M+ alebo spôsobu usporiadania polyédrov v štruktúre) avlastnosťami študovaných zložiek (napr. počtom a charakterom fázových prechodov). Využije samultidisciplinárny prístup, ktorý bude zahrňovať použitie difrakčných a spektrálnych metód priamo in-situ vroztavenom stave, v spojení s ex-post analýzou zatuhnutých vzoriek.
Duration: 1.1.2018 – 31.12.2021
Fotoluminiscenčné transparentné keramické materiály na báze oxinitridov
Photoluminescent transparent oxynitride-based ceramics
Program: VEGA
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Annotation: The aim of the project is to develop effective processing of optically transparent polycrystalline ceramics in the Mg-Si-Al-O-N, namely based on MgAlON spinel and silicon oxynitride (o’-sialon) ceramics from crystallinepowders and metal-organic polymer precursors. A defects-free processing methodology from starting powders to final materials will be investigated. The project is targeting on evaluation and elimination of material flaws duringthe processing of transparent materials throughout: (1) selection of starting powders with appropriate particlesizes, (2) preparation of stable dispersed ceramic suspensions, (3) using efficient wet powder compactionmethods, (4) improving the homogeneity of green samples, (5) optimization of sintering conditions and (6) qualityof surface finishing in sintered materials. The effect of rare-earth and/or transition metal oxides and fluoridesdoping on both sintering and optical properties (transparency, photoluminescence) of ceramic materials will be studied.
Duration: 1.1.2018 – 31.12.2021
Korózia a zvetrávanie úžitkových skiel
Corrosion and weathering of tablewareglass
Program: VEGA
Project leader: doc. Ing. Chromčíková Mária PhD.
Duration: 1.1.2018 – 31.12.2021
Nové anorganické fosfory na báze stechiometrických hlinitanov a kremičitanov s dlhodobou svetelnou emisiou pre optické a biomedicínske aplikácie
Nové anorganické fosfory na báze stechiometrických hlinitanov a kremičitanov s dlhodobou svetelnou emisiou pre optické a biomedicínske aplikácie
Program: VEGA
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.1.2018 – 31.12.2021
Príprava a charakterizácia granúl / mikroguličiek na báze nitridu kremičitého pre bioaplikácie
Preparation and characterization granuls/microspheres based on silicon nitride for bioapplications
Program: VEGA
Project leader: doc. Ing. Hnatko Miroslav PhD.
Annotation: The use of silicon nitride in bio-applications is timely and very prospective topic especially in last five years and there are some studies which confirmed the possibility of using silicon nitride as human bone implants. Proposed project will be concerned with preparation and characterization of porous granules and microspheres with mean diameter above 0.3 mm and below 100 m, respectively, in the system silicon nitride/bioactive additives, e.g. hydroxyapatite, tricalcium phosphate and bioglass.Granules will be prepared using freeze granulation technique by spraying appropriate suspension into the liquid nitrogen, subsequent lyophilisation and sintering of obtained granulate. Hydroxyapatite as bioactive aid will be infiltrated into the porous granules in the form of sol, dried and thermally treated to crystalline form. Mechanical properties and biological response of as prepared composites will be studied in detail.Microspheres with various contents of bioactive aids will be prepared using flame synthesis. Influence of addition of bioactive species will be studied with respect to the phase and chemical composition as well as processing results (size, porosity, etc.) and biological response of microspheres.Goal of proposed project is to study the applicability of such structures made of so-called advanced ceramics – silicon nitride – in various bioapplications. Within the project an attention will be paid to increasing of mechanical properties of calcium-phosphate cements by incorporation of silicon nitride spheres; influence on setting time, resorbability and biological response of cement/ceramic composites will be a topic. The usability of granules or microspheres for fabrication of 3D trabecular structures with appropriate strength and porosities will be verified.
Duration: 1.1.2018 – 31.12.2021
Fotoaktívne hybridné materiály
Photoactive hybrid materials
Program: VEGA
Project leader: Mgr. Czímerová Adriana PhD.
Annotation: Presented project is focused on investigation of hybrid systems based on quantum dots, clay minerals and organic dyes of porphyrin and cyanine type. These systems are supposed to show the important photophysical properties, such as high fluorescence quantum yield, stability. The main aim of the project is a synthesis of quantum dots with various particles` size and their consequent incorporation into a thin layers of clay minerals and into systems composed of clay mineral/porphyrin dye and clay mineral/cyanine dye. The key factors of project`s investigation will be to find out the suitable technique to suppress the undesired aggregation phenomena of dyes, as well as mastering the techniques for a preparation of transparent thin films. The next important stage of the project will be to investigate and to manage a controlled energy transfer among dyes, where the quantum dots will serve as light-harvesting antennas, transferring the energy to a clay-incorporated organic dyes. In this context, we expect a formation of multi-atomic systems with unique luminescence properties.
Duration: 1.1.2017 – 31.12.2020
Funkcionalizácia ílových minerálov netradičnými organickými surfaktantmi
Functionalization of clay minerals using unconventional organic surfactants
Program: VEGA
Project leader: RNDr. Madejová Jana DrSc.
Annotation: This project represents a combined experimental and theoretical approach to the study of nanoparticles of smectites functionalized by non-traditional organic surfactants. It is focused on new types of materials modified with selected quaternary alkylphosphonium and alkylammonium surfactants and cationic polymers. The research is mainly aimed on the relationship between smectite composition, structure and resulting properties of prepared materials. A special attention is devoted to the effects of surfactant\’s ionic head-group type, molecule size, shape and polarity on the structural characteristics and surface activity of prepared organoclays. Complex characterization of structure and properties of prepared advanced materials will be obtained from X-ray diffraction, spectroscopic methods and quantum calculations by DTF (Density Functional Theory). Studied materials have application potential as fillers for polymer composites, carriers of photoactive molecules and metal nanoparticles active in catalysis.
Duration: 1.1.2017 – 31.12.2020
Štruktúra a vlastnosti oxidových skiel – termodynamický model, entalpická a objemová relaxácia
Structure abd properties of oxide glasses – thermodynamic models, entalpic and structural relaxation
Program: VEGA
Project leader: doc. Ing. Chromčíková Mária PhD.
Annotation: Complex examination of the relations between the composition, structure and physical properties of glasses, containing network forming oxides, e.g. Al2O3, P2O5 or B2O3, which are present in the structure of the glass in form of coordination polyhedrons with various number of the oxygen atoms and bonded to the network in a different way. Indirect methods will include thermodynamic modelling based on the approach of Shakhmatkin and Vedishcheva. Thermodynamic models will be validated by quantitative interpretation of Raman spectra and will be applied for interpretation of experimentally acquired structure-property-composition relationships. The most important properties of selected glasses (density, viscosity, thermal expansion) and their temperature and compositional dependences will be determined experimentally. Attention will be devoted to the kinetics of the relaxation processes – volume and enthalpy relaxation in the glass transition temperature range.
Duration: 1.1.2016 – 31.12.2020
Transparentné polykryštalické keramické materiály so submikrónovou mikroštruktúrou a luminiscenčnými vlastnosťami
Transparent polycrystalline ceramics materials with submicrone microstructure and with luminiscent properties
Program: VEGA
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.1.2017 – 31.12.2020
Vývoj pokročilých nástrojov na výpočet a interepretáciu NMR a EPR spektier systémov ťažkých prvkov
Development of advanced tools for calculation and interpretation of NMR and EPR spectra of heavy element compounds
Program: VEGA
Project leader: Dr. Malkin Oľga DrSc.
Annotation: The current project is based on methods and programs for quantum-chemical prediction and interpretation of NMR and EPR parameters previously developed by our group. In this project we plan to develop and implement new 2-component relativistic DFT methods for calculation of NMR and EPR parameters within the X2C approach. We expect that the new methods will be several times faster fully relativistic 4-component methods. The second objective is to extend the existing set of advanced theoretical tools for analysis and interpretation of NMR and EPR parameters of heavy-element compounds. In particular, we plan to transfer our old developments from old codes to the new ReSpect program and wherever possible to generalize them to 2- and 4-component levels. Finally we plan to apply the newly developed methods and programs to study heavy-element compounds in collaboration with our foreign partners.
Duration: 1.1.2017 – 31.12.2020
FLUMECE – Fluoridové taveniny kritických prvkov pre nekonvenčné aplikácie
Fluoride melts of critical elements for unconventional applications
Program: SRDA
Project leader: doc. Ing. Boča Miroslav DrSc.
Duration: 1.7.2016 – 30.6.2020
EXTREMECER – Keramické materiály pre použitie v extrémnych podmienkach
Ceramic materials for extreme operating conditions
Program: SRDA
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Duration: 1.7.2016 – 30.6.2020
ProKor – Kompozitné vrstvy pre vysokoteplotnú protikoróznu ochranu kovov
Advanced composite coatings for high temperature corrosion protection of metals
Program: SRDA
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.7.2016 – 30.6.2020
nanomat – Nanokompozitné materiály na báze organo-fosfóniových smektitov a polymérov
Nanocomposite materials based on organo-phosphonium smectites and polymers
Program: SRDA
Project leader: Mgr. Jankovič Ľuboš PhD.
Annotation: Inorganic-organic composite materials are currently intensively studied systems, in particular in relation to the rapid development of new Technologies. The focus of the project is on the preparation and complex characterisation of new types of multicomponent systems based on clay minerals from the smectite group modified with alkylphosphonium surfactants. These materials have application potential in polymer composites and in optically active systems. The project will be focused on 1) synthesis of commercially unavailable alkylphosphonium sylts, 2) optimization of the procedure of their intercalation to smectites to achieve better properties in the interlayers compared to commercial alkylammonium organoclays, 3) preparation of complex systems of alkylphosphonium smectites and dyes of the photochemical and photophysical properties, which so far have not yet been studied and 4) testing of the synthetized alkylphosphonium organomontmorillonites as fillers in polymer matrices in order to take advantage of their properties to improve the thermal stability of composites, to reduce their flammability and to improve the barrier properties of packaging materials. A description of the structure and properties of the intercalates will be obtained by diffraction and spectroscopic methods and from quantum chemical calculations by means of DFT method in the solid state. It is expected that a comprehensive multidisciplinary approach, also thanks to the quality of the researchers and top/ranking instrumentation of both partners the objectives of the project will be met.
Duration: 1.7.2016 – 30.6.2020
BiofNano – Prevencia a eradikácia mikrobiálnych biofilmov vo vzťahu k nanomateriálom
Prevention and eradication of microbial biofilms in relationship to nanomaterials
Program: SRDA
Project leader: prof. RNDr. Bujdák Juraj DrSc.
Duration: 1.7.2016 – 30.6.2020
BENECOM – Vlastnosti nových progresívnych konštrukčných materiálov v agresívnom prostredí roztavených solí
The behaviour of new progressive construction materials in aggressive environment of molten salts
Program: SRDA
Project leader: Ing. Šimko František PhD.
Duration: 1.7.2016 – 30.6.2020
Rel-NMR-EPR – Vývoj nových teoretických nástrojov pre predikciu a interpretáciu EPR a NMR parametrov
Developing new theoretical tools for prediction and interpretation of EPR and NMR parameters
Program: SRDA
Project leader: Dr. Malkin Vladimír DrSc.
Duration: 1.7.2016 – 30.6.2020
SERAMAT – Zhodnotenie druhotných surovín pre materiály s využitím v extrémnych podmienkach
Assessment of secondary raw materials for the preparation of materials used in extreme conditions
Program: SRDA
Project leader: doc. Ing. Hnatko Miroslav PhD.
Duration: 1.7.2016 – 30.6.2020
Roztavené fluoridové systémy s vyššou funkcionalitou
Molten fluoride systems with higher functionality
Program: VEGA
Project leader: doc. Ing. Boča Miroslav DrSc.
Duration: 1.1.2016 – 31.12.2019
Fotoluminescenčné keramické materiály na báze oxynitridov kremíka
Silicon oxynitride-based photoluminescent ceramic materials
Program: SRDA
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Annotation: The project is focused on the cost effective preparation of ternary silicon nitride an oxynitride based phosphors by reaction synthesis, carbothermal reduction and/or from siloxane-based polymer precursors. Among the ternary nitrides MgSiN2, LaSi3N5, ad YbSi3N5 will be studied, while the oxynitrides will be on the base of O-SiAlONs. The mains starting powders for ternary nitrides are metal silicides and Si3N4, while for oxynitrides polymer derived SiAlOC precursor. Except of known dopants for phosphors (Eu, Ce) another lanthanoid activator will be searched on the base of the first principle calculations. The influence of type, amount and valence of dopant on the colour and intensity of emitted light will be studied in details. The final valence of activator (e.g. Eu2+) will be controlled by the reaction conditions (temperature, reducing atmosphere, etc.) during preparation of phosphors. Finally, the excitation and emission spectra of prepared phosphors and their quantum efficiency will be characterised. Except of powder phosphors also thin layers will be prepared by HIP (Hot Isostatic Pressing) method.
Duration: 1.7.2015 – 30.6.2019
LUMON – Transparentné luminescentné oxinitridy
Transparent luminescent oxynitrides
Program: SASPRO
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Duration: 1.1.2016 – 31.12.2018
Zviditeľniť relativistickú kvantovú chémiu: Relativistické paramagnetické NMR
Moving relativistic quantum chemistry out of the shadow: Relativistic paramagnetic NMR
Program: SASPRO
Project leader: Dr. Malkin Vladimír DrSc.
Duration: 1.10.2016 – 31.12.2018
HITEMPCORR – Vlastnosti materiálov po vysokoteplotných koróziách v roztopených soliach
High-temperature properties of materials corrosion in molten salts
Program: SASPRO
Project leader: doc. Ing. Boča Miroslav DrSc.
Annotation: Study of the corrosion characteristics of the structural materials for handling hightemperature molten salts is still of serious concern and importance. Even today theliterature lack corrosion characterizations for molten salt systems studied above 850°C.Furthermore, the amount of materials tested and the variety of molten salts used, is alsovery limited. Our desire in this study is to test a spectrum of various alloys at around800°C and more, in variety of molten salts environment. Looking at these needs, webelieve that corrosion testing should include as many materials as possible that have beenqualified by ASTM codes for use at the high temperatures envisioned. And therefore, weplan to investigate several high temperature alloys: nickel-based alloys HA230 and In625,Hastelloy-N, Hastelloy-X, Hastelloy-C276, Haynes-230, Haynes-242, Inconel-617, Inconel-713C, Incoloy-800H, Udiment-720 and SiC-SiC composite in fluoride salts (FLiNaK),magnesium chloride salts (MgCl2-KCl), and nitrate salts (NaNO3-KNO3 [40–60 wt%],LiNO3-NaNO3-KNO3 [30–52–18 wt%]) at a high temperature range depending on themolten salt mixture. Our main objective is to understand corrosion rates of these alloysand materials exposed to the given salts for long durations (i.e., 100–1,000 hours) in astatic system and semi-empirical predictions of the thermal-physical properties of thesalts.
Duration: 5.11.2015 – 4.11.2018
Elektrolyty s nízkou teplotou topenia a zmáčané katódy s potenciálom pre zlepšenie procesu výroby hliníka
Low melting electrolytes and wetted cathodes with potential for electrolytic aluminium production
Program: VEGA
Project leader: Ing. Šimko František PhD.
Annotation: The project is focused on the study and investigation of low-melting KF electrolytes, theirs structure and physico-chemical behaviour. These electrolytes with lower melting points are considered as electrolytes of a new generation for aluminium production process with application of “wetted” cathodes, as they could reduce an energy consumption of the process. The project also includes the corrosion investigation of possible catthode materials (TiB2, ZrB2 and SiC) in studied fluoride melts. The use of a variety of spectral techniques, in addition to the measurement of physico-chemical properties, enables us to find the links between the structure of molten systems (their internal environment in molten state) and theirs physic-chemical behavior, which in turn allows more qualified prediction and modeling of aluminium industrial applications.
Duration: 1.1.2014 – 31.12.2017
Nové anorganické fosfory na báze hlinitanov vzácnych zemín pre aplikácie v LED diódach vyžarujúcich biele svetlo
New rare-earth aluminate-based inorganic phosphors for applications in white light emitting LEDs
Program: VEGA
Project leader: Ing. Klement Róbert PhD.
Annotation: The project deals with development of new glass and glass-ceramic luminescent materials based on Al2O3 and RE2O3 for applications in white light emitting LEDs, especially the materials with high emission in red spectral region with the aim of enhancing the CRI in comparison to the luminophors known today. New luminescent materials will be prepared in the form of microspheres. The undoped materials will be investigated, especially from the point of view of the structure of aluminate glasses in the system Al2O3-RE2O3 with the use of spectroscopic techniques, thermal properties, and crystallization kinetics. The conditions of crystallization of glasses will be optimised with the aim of preparation of glass-ceramics with requested properties. Photoluminescence properties of glass and glass ceramic materials doped with rare earth and transition metals ions will be studied in detail with the aim of enhancing the emission of the luminophors in red spectral region. Special attention will be paid to relations between the luminescent properties of prepared materials, their structure, and morphology.
Duration: 1.1.2014 – 31.12.2017
Svetlo emitujúce luminofóry na báze ternárnych nitridov a oxynitridov kremíka
Ternary silicon nitride and oxynitride-based phosphors
Program: VEGA
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Annotation: The project is focused on the cost effective preparation of ternary silicon nitride and oxynitride based phosphors by reaction synthesis, carbothermal reduction and/or from siloxane-based polymer precursors. Among the ternary nitrides MgSiN2, LaSi3N5 and YbSi3N5 will be studied, while the oxynitrides will be on the base of O-SiAlONs.The main starting powders for ternary nitrides are metal silicides and Si3N4, while for oxynitrides polzmer derived SiAlOC precursor. Except of known dopants for phosphors (Eu, Ce) another lanthanoid activator will be seached on the base of the first principle calculations. The influence of type, amount and valence of dopant on the colour and intensity of emitted light will be studied in details. The final valence of activator (e.g. Eu2+) will be controlledby the reaction conditions (temperature, reducing atmosphere, etc.) during preparation of phosphors. Finally, the excitation and emission spectra of prepared phosphors and their quantum efficiency will be characterised.
Duration: 1.1.2014 – 31.12.2017
Zlepšenie funkčných vlastností keramických materiálov prídavkom uhlíkových nanorúrok a grafénu
Improvement of functional properties of ceramic materials with the addition of carbon nano-tubes and graphene
Program: VEGA
Project leader: doc. Ing. Hnatko Miroslav PhD.
Annotation: Project deals with the development of materials on a base of silicon nitride and silicon carbide with the addition of carbon nano-tubes CNT and graphene. The goal of the project is to increase the functional properties of composite while the mechanical properties remain on the same level. Catalyst chemical vapour deposition (CCVD) will be employed in order to homogenously incorporate the CNTs into SiC and Si3N4 matrix in desired amount. Up to now only few CNTs weight % were successfully distributed within ceramic powder, which is the main problem in preparation of such a composite.Distribution of graphene nano-platelets in ceramic powder mixtures will be realized by attritor milling. Characterization of the relation between the way of composites preparation and their physicochemical, mechanical and functional properties will be established.
Duration: 1.1.2014 – 31.12.2017
Perlit – Genéza perlitu a inovatívne prístupy pri jeho ťažbe a spracovaní
Perlite genesis and innovative approaches to its exploitation and processing
Program: SRDA
Project leader: RNDr. Madejová Jana DrSc.
Annotation: The submitted project is original and innovative in its aim to connect information about genesis with quantitative and technological parameters of a mineral deposit, with usage of GIS environment. Aims of the project correspond to the current initiative of the EU „Resource efficient Europe“ Perlite is volcanic glass and represents and important environmental raw material. Lehôtka pod Brehmi deposit has been exploited for a long time and Jastrabá deposit just starts to be mined. Both deposits belong to the company LB Minerals, Inc., that will acta s a project outcomes customer and will actively participate at the project. Based on paleovolcanic reconstruction and lary research we will create a 3D model of qualitative parameters of Lehôtka pod Brehmi deposit and with a lower level of precision also Jastrabá deposit. The project will also deal with the issue of conditions of rhyolite glass hydration and Dynamics of perlite dehydration. Innovative procedures of quick perlite quality determination during operation conditions will be also studied. Simultaneously, the way of waste (perlite fine fraction) elimination will be examined. The possibility of the waste application as a starting material for synthesis of zeolites and as pozzolana admixture in cement will be verified. The 3D model and accompanying activities will allow to the producer prepare final product according to the market demands and to make the exploitation and processing of perlite more effective.
Duration: 1.10.2013 – 30.9.2017
ConCer – Vývoj vodivej keramiky na báze SiC
Development SiC based conductive ceramics
Program: SRDA
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Annotation: The main purpose of the project is preparation, development and optimization of mechanical (hardness, strength, fracture, toughness, wear resistance), high temperature (corrosion and thermal shock resistance), and electrical (electrical conductivity) properties of silicon carbide based ceramic composites with metallic additives, in a way that would ensure electrical metall-like conductivity without compromising structural stability. As experimental materials SiC based composites with various volume fraction of Nb and Ti will be used. The subject of the study will be the relationship between the relevant properties of the experimental materials and parameters of their microstructure with the aim to understand their mutual connections, and then to use the gained knowledge in development of optimal material for applications in civil and electrical engineering.
Duration: 1.10.2013 – 30.9.2017
Hybridné materiály vrstevnatých kremičitanov s kyanínovými a porfyrínovými farbivami
Hybrid materials based on layered silicates with cyanine and porphyrine dyes
Program: VEGA
Project leader: Mgr. Czímerová Adriana PhD.
Annotation: The submitted project is aimed to the study of the preparation and characterization of hybrid materials based on layered silicates with adsorbed cyanine and porphyrin dyes. One of the main objectives is the study of fluorescent J-aggregates of dye molecules adsorbed on the colloidal particles of the silicates, as well as the preparation of thin films of the hybrid systems. In this project we would like to focus on the preparation of the hybrid systems with unique photophysical properties, such as optical anisotropy, high quantum yield of fluorescence, chemical stability, sensing properties, photosensitization. The crucial problem to be solved is the elimination of H-aggregates formation, which are known to be the efficient quenchers of fluorescence. H-aggregates can be eliminated using suitable reaction conditions of the preparation of hybrid systems. A considerable part of theproject will be devoted to the study of controlled energy transfer between organic dye molecules.
Duration: 1.1.2013 – 31.12.2016
Keramické vrstvy pripravené z organokremičitých prekurzorov pre vysokoteplotnú protikoróznu ochranu kovov
Ceramic coatings with glass fillers for high temperature corrosion protection of metals
Program: VEGA
Project leader: prof. Ing. Galusek Dušan DrSc.
Annotation: Corrosion of metals in hot gases impairs the service life of technological units (heat exchangers in power plants and communal waste incinerators) and requires additional costs for repairs. The project aims at development of new anti-corrosion protections – ceramic coatings prepared by controlled decomposition of organosilion precursors. The proposed method allows deposition of coatings by a simple technology (spraying or dip coating in a liquid precursor) with subsequent conversion of the precursor to amorphous ceramics. The volume change in the course of conversion is compensated by the addition of oxide glass-based active or passive fillers prepared in the form of microspheres by flame synthesis. The glasses with high melting temperature and defined composition ensure effective anti-corrosion protection to high temperatures (> 1200 oC), optimum compatibility of the filler with ceramics, and due to spherical nature of the glass particles, also minimum influence on rheology of the precursor during coating.
Duration: 1.1.2014 – 31.12.2016
Príprava a vlastnosti nových typov organoílov pre polymérne a environmentálne aplikácie
Preparation and properties of novel organoclays for polymer and environmental applications
Program: VEGA
Project leader: RNDr. Madejová Jana DrSc.
Annotation: This project is focused on preparation, characterization and properties of novel organo-modified clays to be used as nano-fillers for polymer-clay nanocomposites (PCN) or as adsorbents of heavy metal cations. Organoclays will be prepared from various types of smectites and different organic cations including alkylammonium cations unexplored yet for PCN applications. The intercalation of cations into smectite interlayers will be studied by different methods including near IR spectroscopy. A new method based on NIR measurements will be designed to examine the hydration properties. Investigation of selected organoclays will substantially support development of new types of clay fillers tailored for specific polymer matrices. Organoclays with chelating groups will be tested for adsorption of heavy metal cations. Effect of layer charge of smectite on its sorption capacity will be studied. New methodological contribution is expected using potentiometry and conductometry for complex electrochemical measurements.
Duration: 1.1.2013 – 31.12.2016
ReSpect – praktický a účinný výpočtový nástroj pre štúdium zlúčenín ťažkých prvkov
ReSpect – a practical and efficient computational tool to study heavy element compounds
Program: VEGA
Project leader: Dr. Malkin Oľga DrSc.
Annotation: Currently there are three major problems that restrict the accuracy of quantum-chemical calculations: the Born-Oppenheimer approximation, an insufficient level of treating the effects of correlation and/or relativistic effects (often correlation and relativistic effects are not considered at all). To develop methods and programs that allow one to go beyond the lowest level in consideration relativistic effects and effects of electronic correlations and, at the same time, to be applicable to large system still is a challenge for modern quantum chemistry and it is the goal for present grant proposal.
Duration: 1.1.2013 – 31.12.2016
PROGNOZHET – Heterocykly pre progresívne trendy storočia
Heterocycles for progressive trends of the century
Program: SRDA
Project leader: RNDr. Smrčok Ľubomír CSc.
Duration: 1.7.2016 – 31.8.2016
Centrum aplikovaného výskumu nových materiálov a transferu technológií
Center for applied research of new materials and technology transfer
Program: EU Structural Funds Research & Development
Project leader: doc. Ing. Boča Miroslav DrSc.
Duration: 1.3.2013 – 31.12.2015
FUN-MAT – Centrum excelentnosti pre funkcionalizované viacfázové materiály
Center of Excellence for Functionalized Multiphase Materials
Program: Centrá excelentnosti SAV
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Duration: 1.8.2011 – 31.12.2015
HybridMater – Fotoaktívne hybridné nanomateriály s luminiscenčnými a antimikrobiálnymi vlastnosťami.
Photoactive hybrid nanomaterials with luminescent and antimicrobial properties.
Program: SRDA
Project leader: prof. RNDr. Bujdák Juraj DrSc.
Annotation: The topic of the project aims at hybrid materials composed from the particles of nanoscale dimensions of layered silicates with embedded organic dye molécules. Suitable sélection of the components, reaction procédures and conditions, structural and chemical modification will be applied to optimize the photoactivity of the materials. Two main types ofproperties of the materials will be investigated: 1. Optical properties, mainly luminiscence. 2. Photosensitization, molecular oxygen activation and antimicrobial properties. Solid state luminiscent materials with high émission efficiency will be developed. Biological tests will employ simple microbiological models, adhésion experiments on solid surfaces and biofilm model. For thèse experiments, représentatives of pathogenic bacteria and yeasts will be selected. Based on the results of simple type materials, more complex Systems, e.g. nanocomposites with polymers, will be developed and characterized.
Duration: 1.7.2012 – 31.12.2015
KoroDENT – Mechanizmy korózie a mikromechanické vlastnosti dentálnych materiálov
Mechanisms of corrosion and micromechanical properties of dental materials
Program: SRDA
Project leader: prof. Ing. Galusek Dušan DrSc.
Annotation: The changes of lifestyle and increased consumption of drinks with high content of organic acids cause higher incidence of corrosion defects of natural teeth and dental materials, especially in younger population. The result is increased curiosity and mechanical wear (abfraction, abrasion, attrition) due to tooth enamel decalcification of natural teeth, and corrosion damage of the surface of dental materials and their premature mechanical failure. The project is focused at the testing of corrosion resistance of natural teeth in-vitro, and of selected materials used for dental replacements (porcelain, glass-ceramics, ceramics), carries fillings of natural teeth (amalgam, composite) against commonly consumed acid drinks, and determination of mechanisms and kinetics of corrosion. Attention will be paid also to the influence of selected ions simulating buffering activity of human saliva, and influencing ionic equilibrium in buccal cavity (Ca2+, F-, PO43-) on corrosion rates, and to the influence of corrosion on micromechanical properties of natural teeth and synthetic dental materials, including their resistance against micro-abrasion, micro-crack formation, and fatigue resistance leading to abfraction during cyclic loading. The results will comprise determination of factors influencing damage of dental materials, identification of the means facilitating reduction or elimination of the damage, and optimization of dental materials from the point of view of their corrosion resistance.
Duration: 1.7.2012 – 31.12.2015
PAPHET – Polyaplikovateľné heterocykly – návrh štruktúry, syntéza a vlastnosti
Polyaplicable heterocycles – design, synthesis and properties
Program: SRDA
Project leader: RNDr. Smrčok Ľubomír CSc.
Annotation: Basic research in the field of organic synthesis of heterocyclic compounds with emphasis on new materials. Study and optimization of novel synthetic methodologies in preparation of aromatic mono- and polyheterocyclic compounds fused with another ring, aromatic or saturated, and containing O, S. Se or N and their derivatisation. Utilization of novel precursors in cyclization and cyclocondensation reactions. Study of chemoselectivity of cyclization reactions of hydrazines with activated enol ethers relative to substrate. Deliberate syntheses of novel – three-dimensional pi-conjugated heterocyclic compounds of the thiophene and pyrrole series with built-in perfluorobenzene ring and prepared from easily accessible hexafluorobenzene. Their use as building blocks for novel bioactive compounds, electronic and photonic materials (e.g. senzitizers of photoionization of water). Study of reactivity, physico-chemical properties and spectral characteristics of target compounds in connection with their 3D-structure (X-ray analysis), supramolecular chemistry, tautomerism supported by quantum chemistry calculations and possible applications in optoelectronics, human and veterinary medicine, nanotechnologies and other areas of practical application. Study of paramagnetic intermediates of heterocyclic compounds generated by various techniques will be carried out by the EPR methodology.
Duration: 1.7.2012 – 31.12.2015
Roztavené fluoridové systémy pre vysokoteplotné aplikácie s potenciálom využitia v energetickom sektore
Molten fluoride systems for high temperature applications with potential in energy sector application
Program: VEGA
Project leader: doc. Ing. Boča Miroslav DrSc.
Annotation: The project is based on the complex study of physico-chemical (density, viscosity, surface tension) andthermodynamic properties (phase diagrams, thermochemical characteristics) and the study of “structure” offluoride systems considered for high temperature applications especially in nuclear industry. The investigatedsystems play important role in development of nuclear reactors of new generation. The influence of corrosionproducts of some construction materials on studied physico-chemical parameters is an important part of theproject, as well. The determination of the particular physico-chemical properties will be performed by suitable andavailable methods, e.g. thermal analysis method, hydrostatic weighting, maximal bubble pressure method, DCS,STA and high temperature drop calorimetry. Analysis of the corrosion products and the identification of thephases will be carried out by IR, XRD, WD XRF and by EDX analysis together with SEM method.
Duration: 1.1.2012 – 31.12.2015
Štruktúra a vlastnosti oxidových skiel – molekulová dynamika, termodynamické modely, kryštalizácia, vibračné a impedančné spektrá
Structure and properties of oxide glasses – molecular dynamics, thermodynamic models, crystallization, vibrational and impedance spectroscopy
Program: VEGA
Project leader: doc. Ing. Chromčíková Mária PhD.
Annotation: Complex examination of the relations between the composition, structure and physical properties of glasses,containing network forming oxides, e.g. Al2O3, P2O5 or B2O3, which form coordination polyhedrons with variousnumber of the oxygen atoms and possess different types of bonding within the network structure of glass. Exceptof spectroscopic methods (mainly the quantitative Raman spectroscopy) the structure of glasses will be examinedalso by the method of quantum molecular dynamics. Indirect methods will include thermodynamic modelingbased on the regular solutions approach. The most important properties of selected glasses (density, viscosity,thermal expansion, refraction index, surface tension, impedance spectroscopy) and their temperature andcompositional dependences will be determined experimentally. The glass crystallization kinetics will be studied byDTA and DSC. The thermodynamic models will be confronted with the results of experiments and of the MDsimulations.
Duration: 1.1.2012 – 31.12.2015
SVOJE – Štruktúra a vlastnosti oxidových skiel určených na aplikácie v jadrovej energetike
Structure and properties of oxide glasses for application in nuclear power technology
Program: SRDA
Project leader: doc. Ing. Chromčíková Mária PhD.
Annotation: The interpretation of composition-structure-property relationships of two groups of model glasses (glasses for fibrous insulation and for vitrification of radioactive waste) with emphasizing the properties of glass application in the field of atomic energy. The glass structure will result from the thermodynamic model that will be compared with the results of quantum DFT molecular dynamics calculations of structure and vibrational spectra. Application of the TD model for interpretation of structure-property relationships resides in regression analysis where the dependent variable is represented by the value of particular physical quantity and independent variables are given by equilibrium molar amounts of structural units. In case of the study of model glass leaching by liquid media (distilled water and model coolant solution used in case of LOCA in NPPs) the TD model of equilibrium composition of the solution will be constructed by the geochemical code PHREEQC. The calculation of affinity of glass dissolution will be based on the TD model of glass – on the hydration Gibbs energy of individual structural units. For the Cs evaporation study the description of gaseous phase – glass melt equilibrium the TD model of glass melt and gaseous phase will be used.
Duration: 1.7.2012 – 31.12.2015
Štúdium mechanizmu korózie materiálov používaných pri tavení priemyselne vyrábaných skiel
Study of the mechanism of corrosion of materials used in a melting of industrially produced glasses
Program: VEGA
Project leader: doc. Ing. Šimurka Peter PhD.
Annotation: The aim of the project is to study corrosion processes in materials that are in glass melting furnaces in glass works. The mechanism of corrosion of refractory materials and the electrodes which are in contact with either glass melt or volatile oxides from glass melt, will be studied in detail.The laboratory corrosion tests, together with the analysis of inhomogeneities in glass products originating from corrosion of materials during the melting process will be used to determine mechanisms of studied materials corrosion. The SEM, EDXA, X-ray diffraction analysis, RTG fluorescence, electrochemical methods and other experimental techniques will be utilized. The studies of corrosion mechanisms of materials used in the glass melting process will results in the increase of efficiency of glass production due to the reduction of glass waste from glass production.
Duration: 1.1.2012 – 31.12.2015
Výskumné centrum ALLEGRO
Program: EU Structural Funds Research & Development
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.4.2014 – 31.12.2015
SiNGra – Vývoj nitridu kremičitého s prídavkom multivrstiev grafénu.
Development of Si3N4 with addition of graphene platelets
Program: SRDA
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Annotation: One of the ways to improve mechanical properties of silicon nitride is by formation of composites systems. The investigations of graphene as a filler for different matrix materials started immediately after the discovery unique mechanical and electrical properties of graphene. Recent research studies confirm the expectations and significant improvement of mechanical and electrical properties of the polymer composites with graphene filler. It is also expected that the incorporation of graphene applications of ceramic materials. The aim of the project is to develop silicon nitride – graphene platelet composite materials with improved fracture mechanical and functional properties. The scientific results of the project will include the parameters of the processing and the set of mechanical properties necessary for the estimation of application possibilities.
Duration: 1.7.2012 – 31.12.2015
Kompetenčné centrum pre nové materiály, pokročilé technológie a energetiku
Competence center for new materials, advanced technologies and energy
Program: EU Structural Funds Research & Development
Project leader: doc. Ing. Boča Miroslav DrSc.
Duration: 1.6.2011 – 30.12.2015
Univerzitný vedecký park STU Bratislava
University Science Park of STU Bratislava
Program: EU Structural Funds Research & Development
Project leader: doc. Ing. Boča Miroslav DrSc.
Duration: 1.2.2013 – 31.10.2015
Aplikovaný výskum a overenie technológií katalytickej dehalogenácie kontaminovaných vôd z priemyselných ekologických záťaží na reaktívnych bariérach
Investigation and verification of catalytic dehalogenation on reactive barriers technologies – treatment of contaminated water from polluted industrial sites
Program: Štrukturálne fondy EÚ Bratislavský kraj
Project leader: Mgr. Czímerová Adriana PhD.
Duration: 1.2.2014 – 30.10.2015
Znalostná databáza a expertný systém environmentálneho riešenia havárií straty chladiva v prevádzke jadrovej elektrárne – ZDESJE.
Knowledge database and expert system for environmental friendly solutions of loss of coolant accidents in atomic nuclear power plants – ZDESJE.
Program: EU Structural Funds Research & Development
Project leader: prof. Ing. Liška Marek DrSc.
Duration: 1.4.2010 – 31.5.2015
Priemyselný výskum pre potreby zefektívnenia unikátnej technológie tavenia a tvarovania úžitkového skla – PVTECHSKLO
Industrial research for needs of the reengineering of the unique technology of the glass preparation and the forming work – PVTECHSKLO
Program: EU Structural Funds Research & Development
Project leader: doc. Ing. Šimurka Peter PhD.
Duration: 1.4.2010 – 30.4.2015
Štúdium štruktúry a dynamiky vodíkových väzieb v tuhých látkach difrakčnými metódami kvantovej chémie a neelastickým rozptylom neutrónov
Structure and dynamics of hydrogen bonds in solids by diffraction methods, quantum chemistry and inelastic neutron spectroscopy (INS)
Program: VEGA
Project leader: RNDr. Smrčok Ľubomír CSc.
Annotation: Proposed project focuses on the study of hydrogen bonds in the solid state by combined use of diffraction (X-ray and neutron), spectral (vibrational spectroscopy by inelastic neutron scattering) and by quantum chemical methods (molecular as well as the solid state calculations). The project focuses on the applications of experimental and theoretical methods rather than on a group of concrete compounds. The main goal is to find interplay between the theoretical calculations and the experiments with the aim to understand better the nature of hydrogen bonds in solids. Diffraction data will be used to provide geometry of hydrogen bonds and to check for the presence of possible static disorder of hydrogen atoms in a structure. The effect of hydrogen bonding on geometry of molecules and vibrational energies will be determined. Measured INS spectra of will be interpreted by direct comparison to calculated spectra and the individual vibrational modes involving hydrogen atoms will be unambiguously recognized.
Duration: 1.1.2012 – 31.1.2015
Štúdium vplyvu obsahu vody v slinkových mineráloch na ich štruktúrne, fyzikálno-chemické a mechanické vlastnosti – modelový a experimentálny prístup
The influence of the water content in cementitious minerals on their structural, physical, chemical and mechanical properties – Model and experimental study
Program: VEGA
Project leader: Ing. Scholtzová Eva CSc.
Annotation: The project represents a combined experimental and theoretical approach for characterization, explanation, and prediction of properties of cementitious (CSH) minerals with respect to dehydration/hydration process. This will help to understand the role of water in the structure of the CSH minerals and the influence of water on the mechanical and chemical stability of these minerals.The main goal of the combination of theoretical and experimental methods is a complex characterization of the relation between chemical composition and the structure of the cementitious minerals, and their mechanical, energetic, and thermodynamic properties.The used theoretical methods will bring a significant contribution to understanding of structural, chemical, and physical properties of the cementitious materials at the molecular level. Moreover, theoretical methods will support and help in interpretation of experimental date obtained by using of thermogravimetric, calorimetric and spectroscopic methods.
Duration: 1.1.2012 – 31.12.2014
ZrAlTa – Anorganické fluoridové taveniny – komplexné štúdium spektrálnych, difrakčných, fyzikálnochemických, termodynamických a štruktúrnych charakteristík
Inorganic fluoride melts – the complex study of spectral, diffraction, physicochemical, thermodynamical and structural characteristics
Program: SRDA
Project leader: doc. Ing. Boča Miroslav DrSc.
Annotation: Anotácia anglicky: Submitted project deals with the study of molten fluoride systems. According to the object of research they can be divided into three groups: melts based on aluminium, melts based on tantalum and niobium and the last group is formed by melts based on zirconium. Although the project represents a basic research, the interest in exactly these groups is connected with the application and usage of metals or systems in different areas of industry. The knowledge about the single systems are at different level, therefore the aim of the project is to clarify processes running in molten systems, to predict properties in more-component systems and in the case of not studied melts to obtain the information about their physicochemical properties. It will be done by obtaining spectral, diffraction, physicochemical, thermodynamic and structural characteristics. The knowledge of these characteristics, information about the material compatibilities, correlations of inner structure of melts with their physicochemical properties are crucial for any applications of high temperature molten systems.
Duration: 1.5.2011 – 31.10.2014
OC&PCN – Organoíly a ich kompozity s polymérmi
Organoclays and their composites with polymers
Program: SRDA
Project leader: RNDr. Komadel Peter DrSc.
Annotation: This project covers investigation of clay minerals, their modifications with organic cations and applications in preparation of polymer-clay nanocomposites. Organomontmorillonites will be prepared from a Slovak bentonite JP and from alkyl-ammonium surfactants containing various number of octyl chains, their important properties will be determined and their composites with polymers will be tested. These are so far unexplored isomers of frequently studied and applied alkyl-ammonium surfactant. Procedure of the synthesis of hydroxyderivates of alkylammonium salts will be verified and some synthesis of new surfactants carrying suitable functional groups will be performed from reactive precursors with a double bond. Other smectites of various chemical composition and structure will be used for preparation of organoclays to investigate the effect of clay mineral on the properties of intercalates. Optimal modification for design of nanocomposites with polyolefins, rubber, biodegradable plastics, and epoxy will be sought to determine the relations between ultimate properties and the structure. Mechanical properties of prepared fillers will be measured, the fillers will be characterized also by the method of rheology of suspensions in selected solvents, optimal compatibility of the filler will be found for each polymer.
Duration: 1.5.2011 – 31.10.2014
BioNitrid – Vývoj kompozitných biomateriálov na báze nitridu kremičitého
Development of composite biomaterials based on silicon nitride
Program: SRDA
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Annotation: The project deals with development and characterization of composite ceramic biomaterials based on silicon nitride in combination with bioactive films formed by hydroxyapatite. Structure and mechanical properties of the material should imitate the human bone characteristics as much as possible. At first the silicon nitride ceramics will be prepared using two different sintering methods (pressureless sintering in oxidizing atmosphere and gas pressure sintering). The effect of the pore volume fraction and the pore size distribution on the Si3N4 mechanical properties, especially on the strength and the Young´s modulus will be observed. In the second phase of the project the preparation of bioactive hydroxyapatite surface layer using sol-gel method on porous Si3N4 matrix will be optimised. The film functioned as a bioactive film should have a reasonably good stability to withstand dissolution of the film while in contact with the body fluid, rough or porous surface morphology to increase joint area with natural bone, and good adhesion strength to maintain a strong bridge to connect the implant with bone tissue. Newly developed composite materials should be suitable for bioapplication especially as trabecular bone substitute.
Duration: 1.5.2011 – 31.10.2014
ReSpect – Relativistické výpočty parametrov NMR a EPR spektroskopie pre zlúčeniny obsahujúce ťažké prvky: pokračovanie metodologického vývoja a aplikácie
Relativistic calculations of parameters of NMR and EPR spectroscopy for compounds containing heavy elements: further methodological development and applications
Program: SRDA
Project leader: Dr. Malkin Vladimír DrSc.
Annotation: The project is aimed at the improvement of the accuracy a computational efficiency of our newly developed four-component methods for relativistic calculation of NMR and EPR parameters. The corner-stone of the project is the matrix Dirac-Kohn-Sham method employing either the restricted kinetic balanced basis for the small component (RKB, in case of EPR parameters) or restricted magnetically balanced basis (RMB, in case of NMR parameters). The project includes significant speeding up of the coupled-perturbed scheme, implementation of the four-index integrals and, in collaboration with our foreign partners, applications of newly developed methods for investigation of magnetic properties of heavy-element compounds. Achievement of the project goals will allow one to study systems of real chemical interests of the new level which was not available earlier.
Duration: 1.5.2011 – 30.4.2014
Aplikovaný výskum technológie plazmotermických procesov
Applied research of technology of thermal plasma processes
Program: EU Structural Funds Research & Development
Project leader: doc. Ing. Boča Miroslav DrSc.
Duration: 1.1.2011 – 31.12.2013
Fluoridové elektrolyty s nízkou teplotou topenia s potenciálom pre elektrolytickú výrobu hliníka
Low temperature melting fluoride systems with potential for electrolytic aluminium production
Program: VEGA
Project leader: Ing. Šimko František PhD.
Annotation: The submitted project deals with thermodynamic and physico-chemical and corrosive properties of low melting fluorides systems with variable ratio of NaF, KF and AlF3. These systems possess potential for electrolytic aluminium production. The project also includes the corrosion tests of industrially used construction materials (steel, special steel materials, advanced ceramics), and materials considering for inert anodes in that acid electrolytes. We would like to also study a corrosion processes in the systems, including identification of the corrosion products, their role in the contamination of electrolytes and an influence of that products on the physico-chemical properties of the electrolytes.
Duration: 1.1.2010 – 31.12.2013
Chémia ako „pridaná hodnota“ v poznávaní a vývoji i) pórobetónov novej generácie a ii) materiálov bez makrodefektov (MDF materiálov).
The added value of chemistry for the knowledge and development of i) novel autoclavel aerated concrete and ii) macrodefectfree (MDF) materials.
Program: VEGA
Project leader: doc. RNDr. Drábik Milan CSc.
Duration: 1.1.2011 – 31.12.2013
Luminiscenčné vlastnosti ternárnych nitridov a oxynitridov kremíka dopovaných lantanoidmi
Luminescence of lanthanoid-doped silicon-based ternary nitrides and oxynitrides
Program: VEGA
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Annotation: The project is focused on the cost effective preparation of ternary nitride and oxynitride (SiAlON) light emitting phosphors by reaction synthesis, combustion synthesis and carbothermal reduction and nitridation process. The host lattices for ternary nitride phosphors are MgSiN2 and LaSi3N5, while that for oxynitrides these are alfa- or beta-SiAlONs. The main starting powders for ternary nitrides are metal silicides and Si3N4, while for SiAlONs purified clay minerals. The type and amount of lanthanoid ions (Eu, Ce, Yb) that activate luminescence is selected on the base of the first principle calculations (DFT), carried out on the refined structure of ternary nitrides and beta-SiAlON. Because the emission depends also on the valence of activator (Eu2+ or Eu3+), the influence of processing conditions, e.g. temperature, reducing atmosphere, on the resulting valence of lanthanoid ion is studied in more details. Finally, the excitation and emission spectra of prepared nitirde-based phosphors are characterized.
Duration: 1.1.2010 – 31.12.2013
Výskum keramických kompozitných materiálov pripravených z polymérnych prekurzorov SiOC pre vysoko korozívne prostredie
Research of ceramic composite materials prepared from polymer precursor SiOC for high corrosive environments
Program: VEGA
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Annotation: The project is dealing with development and characterization of ceramic materials originate from SiC and Si3N4 using novel uncommon sintering additives like SiOC, SiAlOC polymer derived glasses. The aim is increasing of corrosive resistance and keeping of mechanical properties (environment of halogens and melts of Al and Fe) and salts. The objectives of the research are to understand the relationship between the processing of ceramic materials, used sintering additives and their physical and mechanical properties before and after a experiment in corrosive environment. The corrosion tests, detailed chemical and structural analysis will help to select proper materials. Selected materials will be tailored by suitable sintering conditions and compositions. New developed materials should be appropriate for application in several industries.
Duration: 1.1.2010 – 31.12.2013
KORSEM – Korešpondenčné semináre z chémie a biológie pre stredné školy a seminár z prírodných vied pre základné školy
Correspondence seminars from chemistry and biology for secondary schools and seminar of natural sciences for elementary schools
Program: SRDA
Project leader: Mgr. Kedžuch Stanislav PhD.
Annotation: Due to the absence of qualified specialists on the employment market it is important to motivate young people to study the natural sciences. Thus, the proposed project of correspondence seminars brings one of the possibilities to enable it. This project contains 3 knowledge competitions organized in the national rank for students of elementary and secondary schools, realised as follows:Composite authors will prepare interesting set of problems focused on attractive and dynamically scientific development of fields in biology and chemistry for secondary schools or natural sciences for elementary schools. The solving of problems is based on creativity and logic. The set of the problems of competition and the methodical directions are distributed to all Slovak secondary and primary schools. Generally, will be organized 3 rounds per year for each of the 3 competitions. The students will send the solved problems to the co-ordinator by post or via internet. Authors will correct an evaluate them. In the last step will be done the order of the students, based on reached points. The first 25 of the best students from each competition will be invited to specialized training containing lectures, laboratory practice and field-work to introduce the latest knowledge and tendency in the corresponding field, as well as, the possibilities of study and later the implementation on the market with scientific education.
Duration: 1.9.2009 – 31.8.2013
RelChem – Relativistické výpočty NMR a EPR parametrov: od čísel k pochopeniu podstaty
Relativistic calculations of NMR and EPR parameters: from numbers to insight
Program: SRDA
Project leader: Dr. Malkin Oľga DrSc.
Annotation: The project is devoted to the development and implementation of new methods for interpretation of NMR and EPR parameters obtained using different relativistic approaches, recently developed in our group. The goal is to provide analysis of NMR and EPR parameters in terms of contributions from molecular orbitals and to develop visualization tools. That would allow one to get new insight into origins of particular changes of NMR and EPR parameters in compounds containing heavy elements (including transitional metal complexes and compounds containing lanthanides and actinides).
Duration: 1.9.2009 – 31.8.2013
SPFTVTA – Štúdium potenciálu fluoridových tavenín pre vysokoteplotné aplikácie
A study of the potential of fluoride molten salts for high temperature applications
Program: SRDA
Project leader: doc. Ing. Boča Miroslav DrSc.
Annotation: The proposed project will be focused on measurements of thermodynamic and physico-chemical properties (phase diagram, density, viscosity, surface tension) of FLiNaK-Na2ZrF6 system. this molten system belong s to the systems which are considered as a cooling media in primary and in secondary cooling circuit of high-temperature nuclear reactor, as well as a heat-transfer interface for thermochemical production of hydrogen. the project will be direct on the study of the destruction rate and degree of the construction materials, mostly special steels (Inconel, Hastelloy), as well as different types of progressive ceramics under contact with molten fluoride systems.
Duration: 1.9.2009 – 31.8.2013
Centrum excelentnosti pre keramiku, sklo a silikátové materiály
Center of Excellence for Ceramics, glass and silicate materials
Program: EU Structural Funds Research & Development
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.6.2010 – 31.5.2013
Efektívne riadenie výroby a spotreby energie z obnoviteľných zdrojov – ENERGOZ
Effective control of production and consumption of energy from renewable sources – ENERGOZ
Program: EU Structural Funds Research & Development
Project leader: Ing. Sedláček Jaroslav PhD.
Duration: 1.4.2010 – 31.3.2013
Generátor vysokoprúdovej plazmy na báze kompozitných materiálov pre účely gazifikácie pevných uhlovodíkov – PLASMAT.
High-flow plasma generator based on composite materials for gasification of solid hydrocarbons – PLASMAT.
Program: EU Structural Funds Research & Development
Project leader: Ing. Sedláček Jaroslav PhD.
Duration: 1.10.2010 – 31.3.2013
Fluorescenčné hybridné materiály organických farbív interkalovaných v anorganických nosičoch s vrstevnatou štruktúrou
Fluorescent hybrid materials based on organic dyes intercalated in layered inorganic carriers
Program: VEGA
Project leader: prof. RNDr. Bujdák Juraj DrSc.
Duration: 1.1.2009 – 31.12.2012
Chemické modifikácie povrchov prírodných nanomateriálov
Chemical modifications of the natural nanomaterials surfaces
Program: VEGA
Project leader: RNDr. Madejová Jana DrSc.
Duration: 1.1.2009 – 31.12.2012
Od detailného poznania elektrónovej štruktúry molekúl k návrhu nových materiálov
From detailed knowledge of the electron structure of molecules to the design of new materials
Program: VEGA
Project leader: Dr. Malkin Oľga DrSc.
Duration: 1.1.2009 – 31.12.2012
Skelné a keramické materiály s priestorovo usporiadanou štruktúrou
Glasses and ceramics with 3D ordered structure.
Program: VEGA
Project leader: Ing. Sedláček Jaroslav PhD.
Duration: 1.1.2010 – 31.12.2012
LUMSILOX – Luminiscenčné vlastnosti oxynitridov a nitridov kremíka pripravených z organokovových prekurzorov
Luminescence of silicon oxynitrides and nitrides prepared via organometallic precursors
Program: SRDA
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Annotation: Project is focused on preparation of photoluminescent materials (phosphors) based on silicon oxynitrides and nitrides applying organometallic precursors. In the frame of the 6th FP PolyCerNet (MC-RTN-019601) project it was found that combination of silicon nitride and polymer derived silicon oxycarbide black glass (SiOC) leads to the formation of silicon oxynitride. This type of polymer derived glass has the advantage that starting polymers (polysiloxanes) can be easily modified by addition of metallic oxides or alkoxides. Our intention is to use this advantage for incorporation of lanthanoids (Ln=Eu2+, Ce3+, Yb2+) into the structure of silicon oxynitrides, which can serve as host lattice for phosphors.
Duration: 1.9.2009 – 31.8.2012
MVFT – Moderné využitie fluoridových tavenín
Modern application of fluoride molten salts
Program: SRDA
Project leader: doc. Ing. Boča Miroslav DrSc.
Annotation: Submitted project is devoted to the investigation of basic physicochemical properties (phase equilibrium, density, viscosity, surface tension) of molten FLiNaK-K2ZrF6 system. Selected system belongs to such systems which have a potential utilization as cooling media in first and second cooling circuit of advanced high-temperature nuclear reactor, or as heat-transfer interface by thermochemical production of hydrogen. A part of the project deals with the study of corrosion of selected construction materials (special alloys, progressive ceramics) in touch with these molten fluoride systems.
Duration: 1.9.2009 – 31.8.2012
MRCCR12 – Multireferenčná teória spriahnutých klastrov v R12 priblížení
Multireference explicitly correlated coupled cluster theory within the R12
Program: SRDA
Project leader: prof. RNDr. Noga Jozef DrSc.
Annotation: Today, large scale ab-initio calculations are standard in diverse branches of chemistry. Ultimately, we can be faced with the situation when it is the intrinsic accuracy of available methods rather than computation time which limits the quality of the results. Due to a slow convergence of the error with the basis set size standard algorithm re not capable of recovering, say, 99% of the correlation energy. The way out seems to be the use of explicitly correlated wave functions that provide significantly accurate results than do the conventional wave function expansions in one electron basis sets. The aim is to achieve possible highest accuracy, and hence an almost absolute predictive power of quantum chemistry. or at least a spectroscopic accuracy when the error is well below 15. the main task of the post-doctoral associate will be to combine the multireference coupled cluster approach with explicit inclusion of the electron correlation into the wave function at the level of MR-CCSD-R12, using various correlation factors. The goal is to extend the applicability of the R12/F12 methods to a broader range of quantum chemical problems. The work will cover both the methodology and implementation into the program package DIRCCR12-OS.
Duration: 1.9.2009 – 31.8.2012
ReAlGlass – Sklené a sklokeramické materiály na báze aluminátov vzácnych zemín
Glasses and glass ceramics based on rare earth aluminates
Program: SRDA
Project leader: prof. Ing. Galusek Dušan DrSc.
Annotation: The project deals with research and development of novel rare earth aluminate-based glass and glass-ceramic materials aimed at applications as ceramic armours and materials with specific optical, especially photoluminescence, properties. The project solves the problems related to preparation of microspheres of binary an ternary glasses of rare earth aluminates by flame spray pyrolysis, and their low temperature sintering in the temperature range between Tg (glass transition temperature) and Tx (onset of crystallisation temperature), which would yield bulk aluminate glasses with outstanding mechanical and optical properties. In the area of fundamental research the project will include the study of mechanism of low temperature pressure-assisted sintering processes, the influence of the parameters of microstructure on the light transmission, the study of structure of rare earth aluminate glasses by spectroscopic techniques, and the relations between the composition of aluminates, the volume fraction, phase composition, and morphology of nanocrystalline phases in aluminate glasses on mechanical properties and light transmission of glass materials.
Duration: 1.9.2009 – 31.8.2012
MACHINA II – Centrum pre materiály, vrstvy a systémy pre aplikácie a chemické procesy v extrémnych podmienkach – Etapa II
Centre for Materials, Layers and Systems for the Applications and Chemical Processes in the Extreme Environments – Stage II
Program: EU Structural Funds Research & Development
Project leader: doc. Ing. Boča Miroslav DrSc.
Duration: 1.4.2010 – 31.3.2012
CEKOODUV – Centrum komercializácie poznatkov a ochrany duševného vlastníctva Slovenskej akadémie vied
Centre for knowledge marketing and intellectual property rights of SAS
Program: EU Structural Funds Research & Development
Project leader: doc. Ing. Šimurka Peter PhD.
Duration: 1.9.2009 – 28.2.2012
Fluoridové taveniny pre vysokoteplotné aplikácie
Fluoride melts for high temperature applications
Program: VEGA
Project leader: doc. Ing. Boča Miroslav DrSc.
Duration: 1.1.2009 – 31.12.2011
PERPHACOM – Keramické kompozity s perkolujúcimi fázami pripravené infiltráciou organokovového prekurzoru
Ceramic composites with percolated phases prepared by infiltration with organometallic precursors
Program: SRDA
Project leader: prof. Ing. Galusek Dušan DrSc.
Annotation: Proposed project deals with research and development of ceramic composites based on Al2O3, SiC and Si3N4 prepared by infiltration of polymer precursors into porous ceramic bodies. Main objective of the project is development technology of preparation of composites with unique microstructure of percolated phases of secondary polymer derived SiC or SiOC and fine-grained phase of matrix grains. Optimization of preparation will be carried out with respect to sintering process where gas pressure sintering will be used. The fully dense composites with fine grained microstructure are expected as a result. In course of project all the prepared composites will be characterised in terms of mechanical and electrical properties. Correlations between preparation, microstructure and properties of studied ceramic composites will be also estimated.
Duration: 1.9.2009 – 31.12.2011
Sklené a sklokeramické materiály na báze aluminátov vzácnych zemín s výnimočnými mechanickými a optickými vlastnosťami
Glass and glass-ceramic rare-earth aluminate materials with exceptional mechanical and optical properties
Program: VEGA
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.1.2009 – 31.12.2011
Štruktúra a vlastnosti oxidových skiel – termodynamické modely, vibračná spektroskopia a molekulová dynamika
Structure and properties of oxide glasses – thermodynamic models, vibrational spectroscopy and molecular dynamics
Program: VEGA
Project leader: doc. Ing. Chromčíková Mária PhD.
Duration: 1.1.2009 – 31.12.2011
Štúdium štruktúry a dynamiky vodíkových väzieb v tuhých látkach difrakčnými metódami, metódami kvantovej chémie a neelastickou neutrónovou spektroskopiou /INS/
Structure and dynamics of hydrogen bonds in solids by diffraction methods, quantum chemistry and inelastic neutron spectroscopy (INS)
Program: VEGA
Project leader: RNDr. Smrčok Ľubomír CSc.
Duration: 1.1.2009 – 31.12.2011
SOLIPHA – Výskumno-vzdelávacie centrum excelentnosti pre výskum pevnej fázy so zameraním na nanomateriály, environmentálnu mineralógiu a materiálovú technológiu
Research and education centre of excellence for solid phase research focused on nanomaterials, environmental mineralogy and material science
Program: SRDA
Project leader: RNDr. Komadel Peter DrSc.
Annotation: The principal subject of the research within the proposed VVCE project is the investigation of solid phases at the micro- and nano-levels. Within this research, we will focus on questions of environmental pollution related to mining activities, sustainable exploitation of raw materials, study of nanomaterials, material science and associated technologies. The societal importance of such studies is unquestionable and the expected impact is significant as these research directions are also specified among priorities of the 7th Framework Programme of the European Union. Although the proposed work spans a wide range of chemical, geological, environmental, and material sciences, they have a common denominator – the solid phases and their physico-chemical properties. The primary techniques to be used here are X-ray diffraction and IR spectroscopy. The scientific teams within the VVCE have been investigating natural and synthetic solid materials and their research interests, analytical capacities, and interpretational skills are complementary. Into the project will be integrated also Phd students and postdoctoral fellows. PhD study has high quality at the organizations creating VVCE.
Duration: 1.7.2008 – 31.12.2011
ORGMONT – Príprava a vlastnosti montmorillonitov modifikovaných organickými látkami a ich aplikácie v íl-polymérnych nanokompozitoch
Preparation and properties of montmorillonites modified with organic substances and their applications in clay-polymer nanocomposites
Program: SRDA
Project leader: RNDr. Komadel Peter DrSc.
Annotation: The basis of this project is investigation of new kinds of organoclays prepared via various routs. These cover ion-exchange reactions of inorganic with organic cations in dispersions, utilizing also cation exchange capacity data of parent material. Organic cations of various structures, such as quarternary alkylammonium cations with alkyl chains of various lengths, cations with more alkyl chains of different lengths, and also arylammonium cations will be used. More precise determination will be based on first results obtained. Acid-activated bentonites with various extent of dissolution of montmorillonite layers will be prepared via reaction with strong acids (e.g. HCl). They will serve for preparation of organoclays via ion-exchange in dispersion or via grinding with organic substances. Investigated will be sorption properties and effects on properties of clay/polymer composites. Materials prepared via these routes will probably allow specifying the role of individual variables upon their preparation, and possibly estimate the route for preparation of organoclays of appropriate properties for applications. The need for solving this problem is in two areas, in science and in applications. These materials are perspective for achieving new scientific results, mainly those connected with accessibility of the interlayer space for chemical reactions and sorption, both in interlayers and on external surfaces of particles. Prepared materials can be of attractive properties for applications.
Duration: 1.9.2009 – 28.12.2011
Vykonanie externého auditu na posúdenie výšky potrebných minimálnych kapitálových výdavkov, ktoré sú potrebné na podporu plánovaného rastu spoločnosti RONA, a.s. Lednické Rovne
Program: Other projects
Project leader: doc. Ing. Šimurka Peter PhD.
Duration: 1.10.2011 – 30.10.2011
MEPA – Magnetoativita, elektroaktivita a fotoaktivita koordinačných zlúčenín
Magnetoactivity, electroactivity and photoactivity of coordination compounds
Program: SRDA
Project leader: Dr. Malkin Oľga DrSc.
Annotation: Strategy of the project is represented by the combination of the synthetic, analytical, and diagnostic techniques with the aim to prepare new inorganic materials, to characterize their composition, structure, and electronic structure, to identify their magnetic, electric and optical properties in the whole temperature interval, to interpret these properties at the contemporary level of theories, and eventually to shift the theory to a higher level, with the final target not only to describe, but also to understand the mentioned properties and processes from the polyfunctional point of view, to propose and to perform their optimization from the point of view of a potential application. Forward the knowledge about the relationship between the magnetoactivity and biological activity of coordination compounds. The studied multifunctional inorganic materials cover the spin crossover systems, molecule-based magnets, single-molecule magnets, magnetoactive conducting polymers and new classes of photomagnetics. The multifunctionality of materials will be achieved by magneto-, electro- and photo-manipulation.
Duration: 1.7.2008 – 30.6.2011
MACHINA I – Centrum pre materiály, vrstvy a systémy pre aplikácie a chemické procesy v extrémnych podmienkach
Centre for Materials, Layers and Systems for the Applications and Chemical Processes in the Extreme Environments
Program: EU Structural Funds Research & Development
Project leader: doc. Ing. Boča Miroslav DrSc.
Duration: 14.5.2009 – 30.4.2011
NANOSMART – Centrum nanoštruktúrnych materiálov
Centre of the nanostructured materials
Program: Centrá excelentnosti SAV
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Duration: 1.1.2007 – 31.12.2010
COMCHEM – Centrum pokročilej výpočtovej chémie
Centre for Advanced Computational Chemistry
Program: Centrá excelentnosti SAV
Project leader: prof. RNDr. Noga Jozef DrSc.
Annotation: Centre for Advanced Computational Chemistry is a virtual research complex counting highly qualified teams of computational and theoretical chemistry of three chemistry-oriented institutes of the Slovak Academy of Sciences in Bratislava together with similar research groups at the Comenius University and the Slovak University of Technology in Bratislava. The Centre covers a broader spectrum of specific research interests –from the development of new, progressive methods for highly accurate calculations of molecules, through applications of such methods in determining the structure, properties and reactivity of small to middle size molecules, to molecular mechanics studies of polymer aggregation or modeling of the condensed phase focused to materials research. Common basis is given by the related theoretical backgrounds and a global aim to provide calculations with predictive or at least interpretative value useful for experimentalists in diverse fields of chemistry. The purpose of the Centre is to further improve the effectiveness and the quality of the research of all the teams involved, through mutual learning, coordination of the research activities and education at the level of doctoral (graduate) study. Important feature of the Centre will be an effective sharing and usage of the computational infrastructure through local networking and grid-computing. The Centre involves 6 group leading scientists with the DrSc. degree from Institutes of SAS, together with 6 professors with DrSc. degree from the university institutions. All the research teams show solid, internationally appreciated results.
Duration: 1.1.2007 – 31.12.2010
MiKoBio – Mikrokogeneračná jednotka na báze spaľovania tuhej biomasy
Micro-CHP unit based on solid biomass burning
Program: SRDA
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Annotation: The submitted project proposes an alternative to the solution of a micro-SHP method of conversion of the chemically bound energy of the solid biomass to electricity and low-potential heat on the basis of Clausius-Rankin heat circulation with the use of the patented principle of impulse generation of steam and regeneration of heat in the working space f the motor with external combustion. This project is focused on the new conversion method solution with the use of capillary-porous materials, mainly on the basis of functional ceramics, and to reach lower prices and enhance the operation reliability while maintaining a high level of energy efficiency. The examined thermo-mechanical conversion is versatile and provides wide technical and economic opportunities in the area of using solid biomass energy. The subject of the project belongs to the field of energy saving, decreasing the energy dependence, renewable source of energy and reduction of greenhouse gases and CO2 production.
Duration: 1.9.2008 – 31.12.2010
Vzťahy chemických premien a fyzikálno-mechanických vlastností vybraných materiálov na báze cementu
Relations of chemical changes and physico-mechanical properties of selected materials based on cement
Program: VEGA
Project leader: doc. RNDr. Drábik Milan CSc.
Annotation: (i) MDF materials have been accepted as an example of high-tech application of cements in the future. Our former results will be completed by knowledge of the relations of chemical changes to physico-mechanical parameters of MDF materials.ii) Classification of model systems and also of attacked building constructions from points of view of raw materials, environment parameters and potential of thaumasite formation in given environments will enable a complex consideration of the danger of TSA form of sulfate corrosion.iii) An attempt to define phase changes due to the moisture and atmospheric conditions, and the effects of former up on the physico-mechanical properties will represent the key contribution to the database of knowledge about the relations of chemical changes and physico-mechanical parameters of autoclaved aereted concrete. The knowledge will be applicable to the autoclaved aereted concrete based on fluid bed fuel ash.
Duration: 1.1.2008 – 31.12.2010
Dlhodobé sledovanie pórobetónu vyrobeného z fluidného popolčeka
The long-term investigation of autoclaved aerated concrete produced from fluid ash
Program: Other projects
Project leader: Ing. Balkovic Svetozár CSc.
Duration: 1.1.2008 – 31.12.2009
ReSpect – K lepšej presnosti v relativistických výpočtoch elektrónovej štruktúry a magneto-rezonančného spektra zlúčenín obsahujúcich ťažké prvky
Towards a higher accuracy in relativistic calculations of electronic structure and magneto-resonance spectra of compounds containing heavy elements
Program: SRDA
Project leader: Dr. Malkin Vladimír DrSc.
Annotation: An accurate prediction of electronic structure and properties of compounds containing heavy elements obligatorily requires inclusion of relativistic effects into consideration. Recently we developed a state-of -art DKS2-RI method that provides an attractive alternative to existing approximate two-component methods with transformed Hamiltonians (such as Douglas-Kroll-Hess method, zero-order regular approximation or related approaches) for relativistic calculations of structure and properties of heavy-atom systems. In this project we propose to continue the development of the DKS2-RI method. We plan to achieve the following goals: extension of the current methodology to calculations of other magnetic-resonance parameters (including second-order properties); increasing efficiency of the DKS2-RI implementation; inclusion of finite size nucleus model; extension of the DKS2-RI method to hybrid functionals and other functionals with exact exchange; pilot application of the developed methodologies to interpretation of NMR/EPR spectra of heavy element compounds; an attempt to combine our DKS2-RI method with some approximate density matrix method.
Duration: 1.1.2007 – 31.12.2009
Keramické kompozity s netradičnými spekacími a mikroštruktúru ovplyvňujúcimi prísadami
Ceramic composites with uncommon sintering and microstructure forming additives
Program: VEGA
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Annotation: The main object of the proposed project is the preparation of dense SiC and Si3N4-based ceramic materials by using novel uncommon sintering additives like SiOC and SiAlOC polymer derived glasses, ternary nitrides (MgSiN2 and LaSi3N5), in situ prepared intermetallics on the base of Nb/Ti/Al, or cost effective mixture of rare-earth oxide (RE2O3)+SiO2 and carbon. In the latter case in situ carbothermal reduction will be utilised during sintering. The objectives of the research are to understand the relationship between the processing of ceramic materials, used sintering additives and their physical and mechanical properties with a main goal to widen the area of industrial application of ceramic composites. The main research objects are to prepare the novel sintering additives, to understand and optimise the influence of processing conditions, the amount and kind of uncommon sintering additives on the final phase composition and properties of sintered samples. Except of good room temperature mechanical properties (strength, fracture toughness) the objectives involve improved high temperature properties (creep resistance). The electrical and thermal conductivity of selected ceramic composites will be also studied. The electroconductive phase will be on the base of TiN, NbTi s.s., amorphous SiAlC(O) and carbon nanotubes.
Duration: 1.1.2007 – 31.12.2009
Solárny motor – Keramické progresívne materiály foto-termicko-mechanickej konverznej sústavy solárneho tepelného motora na báze parného cyklu
Advanced ceramic materials for the photo-thermo-mechanical conversion system of solar thermal engine based on the steam cycle.
Program: SRDA
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Annotation: The aim of the project is development of progressive ceramic materials for photo-thermal and mechanical conversion system in thermo-solar engine, which is working on the principle of steam engine cycle. The goals are the selection of appropriate material composition, optimization of the shape of „capillary-porous“ceramic parts (absorber and regenerator), and its technology of production using analytical and experimental methods. The developed ceramic material must be resistant against cavitations, corrosive working environment, high temperatures and pressures and thermal shocks. Good thermal conductivity of ceramic part is also very important attribute. Projection and realisation of experimental device for testing the physical, chemical and operational properties of ceramic cells ( absorber and regenerator) in real conditions is a part of the project. The main controlling mechanisms of solar energy conversion will be identified and optimized. Finally, control algorithms will be projected and tested using modern digital and analogy computing systems.
Duration: 1.2.2007 – 31.12.2009
PDCs-CC – Keramika z polymérnych prekurzorov s kontrolovanou kryštalinitou
Polymer derived nano-ceramic with controlled crystallinity
Program: SRDA
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Annotation: Project is focused on the processing of a new type of engineering ceramic materials based on Polymer Derived Ceramics (PDCs). The new, up to now not studied, approaches of PDCs processing, and also subsequent modification of properties by suitable technological treatment are suggested within the framework of present project. Project is aimed on the effective modification of the sintering kinetics of the studied system „ceramic powder-sintering aids“, when sintering additives are derived from inorganic polymer precursors. The proper technological modification of the PDCs will result in the crystallization of the nano-domains at the grain boundaries as well as within the triple points. The final properties of such materials will be effectively affected by their occurrence. Targeted crystallization of glassy phase is a parallel possibility how to reach an enhancement of the properties. Excellent mechanical properties at high as well as room temperature are expected. Optimized materials will be in detail characterized by the state-of-art methods of material research.
Duration: 1.2.2007 – 31.12.2009
Korundová elektrokeramika pre pokročilé typy plazmových zdrojov
Alumina-based electroceramics for advanced plasma sources
Program: SRDA
Project leader: prof. Ing. Galusek Dušan DrSc.
Annotation: A unique low-temperature plasma source, constructed by the researchers at FMFI UK, enables surface modifications of material, e.g. textiles, paper, wood, glass etc., at atmospheric gas pressure with extraordinary short treatment times and low energy consumption. The critical part of plasma source is a complex-shaped electrode system, prepared from 96% A12O3 by modified green-tape casting process. The shortcoming of current ceramícs are high dielectric losses and low secondary electron emission coefficient, which considerably worsen the technical and commercial parameters of the device. The aim of project is to develop novel type of electroceramícs with a substantially (10 times) lower dielectric loss and by the order of magnítude higher coefficient of secondary emíssion, owing to specially developed emíssive coating, while keeping current sintering temperature and technology of mechanical fabrication of electrode unaffected.
Duration: 1.1.2007 – 31.12.2009
Správanie sa nečistôt v priemyselných kyslých elektrolytoch na výrobu hliníka
The behaviour of impurities in industrial acid electrolytes for aluminium production
Program: VEGA
Project leader: Ing. Šimko František PhD.
Annotation: The submitted project deals with the study of the behavior of impurities in the electrolytes which are applied in industrial production of aluminium by the Hall-Héroult process. Emphasis is laid especially to iron, phosphorous and vanadium compounds. The objective of this project is the explanation of reactions between above mentioned impurities and electrolyte, using the thermodynamic calculation and the experimental verification. The electrolytes with the different excess of aluminium fluoride opposite the cryolite will be used. The results of this study will be supply and expand the knowledge about behavior of these impurities in real industrial electrolyte.
Duration: 1.1.2007 – 31.12.2009
korózia keramiky – Výskum keramických materiálov pre vysoko korozívne prostredia
Research of ceramics materials for high corrosive environments
Program: SRDA
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Annotation: The project is dealing with development and characterization of ceramic materials (oxide and nonoxide ceramics originate from Al2O3 and Si3N4). The goal is increasing of corrosive resistance and keeping of mechanical properties (environment of halogens and melts). Conventional methods of sintering ceramics materials will be used on beginning. The corrosion tests will help to select proper materials. Selected materials will be tailored by suitable sintering conditions and composition, controlled by chemical and structural analysis. New developed materials should be appropriate to high corrosive environment applications of iron or aluminium melts. Second field of application is the automotive industry.
Duration: 1.2.2007 – 31.12.2009
Anizotropný prenos energie v hybridných nanomateriáloch vrstevnatých kremičitanov s organickými farbivami
Anisotropical energy transfer in hybrid nanomaterials based on layered silicates with organic dyes
Program: SRDA
Project leader: prof. RNDr. Bujdák Juraj DrSc.
Annotation: Formation of organic dyes assemblies on the templates of layered silicates will be investigated for dye/silicate dispersions and on oriented silicate films. The dye assemblies will by studied spectroscopically to characterize their structure and the molecular orientation with respect to the silicate surface. Optimal selection and modification of silicate templates and appropriate combinations of the dyes of various structural types should help to optimize the properties of the hybrid optical materials. The phenomenon of an anisotropic energy transfer between dye molecules representing energy donor and acceptor components will be investigated considering the properties, structure and molecular orientation of the embedded chromophores. The hybrid dye/silicate materials with optimal optical properties will be selected and tested further in a singlet oxygen generation and for the preparation of novel optical materials based on dispersed dye/silicate particles in a polymer matrix.
Duration: 1.3.2006 – 30.9.2009
Organické modifikácie prírodných nanomateriálov
Organic modifications of natural nanomaterials
Program: SRDA
Project leader: RNDr. Komadel Peter DrSc.
Annotation: Basic research of organo-modified natural nanomaterials prepared from Slovak bentonites and other clay minerals will be aimed to their utilization in environmental protection and production of polymer/clay-nanocomposites. Materials will be characterized by physico-chemical methods. Ab initio calculations will provide molecular-scale information on the structure and bonding in selected organoclays. The IR study will be focused on the arrangement of organic molecules in the clay mineral interlayers. The swelling properties of organoclays in organic and mixed water-organic media will be examined to propose effective organoclay based barriers for retention of organic pollutants. The removal of industrial dyes from aqueous solutions by organoclays will be studied. Composites with polymeric matrices will be prepared and the relations between surface parameters of the fillers and relevant physical properties of the polymers will be investigated with the aim of proposing optimal modification of the clay.
Duration: 1.5.2006 – 30.4.2009
Vlastnosti molekúl s komplikovanou elektrónovou štruktúrou: Sofistikované výpočty a predpovede spektroskopických a elektrických vlastností
Properties of molecules with complicated electronic structure: Sophisticated calculations and predictions of spectroscopic and electric properties
Program: SRDA
Project leader: prof. RNDr. Noga Jozef DrSc.
Annotation: The project is focused on the development, testing and extending the ab intio methods for calculation of electric and spectroscopic properties with complicated electron structures – radicals and molecules in excited states. The focal point is the use of sophisticated teories describing the effects of electron correlation, as well as relativistic effects including spin-orbital interactions. The main goal is the accuracy control in the sense „good results for a good reason“. In particular, trends in the molecular properties and their physical background will be studied and explained.
Duration: 1.3.2006 – 28.2.2009
Fyzikálno – chemické vlastnosti vrstevnatých silikátov z hľadiska ich environmentálnych aplikácií
Physical and chemical properties of layer silicates related to their environmental applications
Program: VEGA
Project leader: RNDr. Komadel Peter DrSc.
Annotation: Toxic substances polluting the environment, their motion in the soils and possible penetration into the underground waters present a serious recent problem. This project covers investigation of properties of layer silicates affecting their application in environment protection. Examined materials will include mainly clays and clay minerals of various structure, chemical composition and charge. Stability of these minerals at various pH and temperature will be studied because these materials are frequently exposed to attack of various acid and alkaline solutions. The project is also devoted to learn the mechanisms of interactions of layer silicates with heavy metal cations, commonly occurring in polluted waters and soils. The effects of mineral type, chemical composition, content of expandable interlayers and interlayer cations on hydration properties of clay minerals will be examined.
Duration: 1.1.2006 – 31.12.2008
Meranie a výpočet vzniku a relaxácie napätí v sklenených výrobkoch pri ich tvarovaní a chladení
Program: Other projects
Project leader: doc. Ing. Chromčíková Mária PhD.
Annotation: The project is specialized on calculation and experimental determination of permanent and transient stresses in glass products during their forming and cooling. The calculation is based on the Tool – Narayanaswamy relaxation model with Mazurin\’s approximation of the relaxation time.The parameters of relaxation model will be obtained from the thermomechanical analysis and the calorimetric measurements.The verification of models will be carried out by the comparison of calculated and experimentally determined stresses in the samples of particular glass.The models will be applied in glass industry for optimization of forming technology and cooling of glass products.
Duration: 1.1.2007 – 31.12.2008
Smerom k detailnému poznaniu elektrónovej štruktúry z kvantovo-chemických výpočtov
Towards detailed knowledge of electronic structure from quantum chemical calculation
Program: VEGA
Project leader: Dr. Malkin Oľga DrSc.
Annotation: The aim of the present proposal is to make a next step from highly accurate explicitly correlated methods which can currently treat rather moderate systems, through methods based on Density Functional Theory (DFT), up to new algorithms for calculations of three dimensional periodic systems. With respect to explicitly correlated wave functions, we plan to develop a new essentially modified approach that is expected to have a significantly wider applicability in comparison with the existed methods. Our goal is also to extend that approach to treat excited states and to calculate different molecular properties with inclusion of relativistic effects. In the field of DFT methodology, we plan to continue our development of relativistic DFT approaches. Particular attention will be paid to enhancement of relativistic spin-polarized two-component approaches at the Hartree-Fock and DFT levels. This approaches (based on Douglas-Kroll-Hess transformation or ZORA) would allow us to extend our ability to calculate magnetic resonance parameters of heavy element compounds. The methods developed for calculation of molecules will be gradually adapted for systems with translational symmetry. In particular, we will use the developed technique for approximate evaluation of integrals in order to reach the linear dependence of computational efforts from the size of a system.
Duration: 1.1.2006 – 31.12.2008
Supramolekulové systémy na báze molekulových agregátov organických farbív na povrchu vrstevnatých kremičitanov
Supramolecular assemblies based on the molecular aggregates of organic dyes on the surface of layered silicates
Program: VEGA
Project leader: prof. RNDr. Bujdák Juraj DrSc.
Annotation: Nano-size molecular aggregates of organic dyes attract attention of scientists in various scientific fields due to their unusual optical properties. This project follows our discovery of silicate charge-controlled molecular aggregation of methylene blue in dispersions of layered silicates. Further problems should be solved and questions to be answered in this project. Influence of the properties of layered silicates, as well as the effect of dye molecular structure on the dye aggregation will be investigated. Chemical and spectral properties of molecular aggregates will be studied in detail. Study will be oriented mainly to the formation of molecular aggregates of thiazine and structurally similar dyes, as well as some representatives of structurally different dyes. Molecular aggregates, which are formed after dye adsorption in silicate colloids and those formed on thin films, will be investigated by means of mainly spectral methods (UV/Vis, fluorescence and infrared spectroscopies). X-ray diffraction and methods of linearly polarized spectroscopies will be applied for the structural determination of dyes in thin films, particularly the arrangement and molecular orientation of dye cations. A part of the project will be oriented to the investigation of kinetics of the processes related to the formation of molecular aggregates on silicates, reorganization of molecular aggregates, influence of silicate exchangeable cations and surface modifications of siliates.
Duration: 1.1.2006 – 31.12.2008
Štruktúra a vlastnosti kremičitanových skiel.- termodynamické modely a molekulovodynamické.simulácie versus experiment
Structure and properties of silicate glasses – thermodynamic models and molecular dynamics simulations vs. experiment
Program: VEGA
Project leader: prof. Ing. Liška Marek DrSc.
Annotation: Complex examination of the relations between the composition, structure and physical properties of glasses, containing apart from silica also other network forming oxides, e.g. Al2O3, or B2O3, which form coordination polyhedrons with various number of the oxygen atoms in the structure of glass. Except of spectroscopic methods the structure of glasses will be examined also by the method of molecular dynamics. Indirect methods will include thermodynamic modeling. The most important properties of glass (density, viscosity, thermal expansion, refraction index, chemical durability, redox, enthalpy and structural relaxation, surface tension) of selected silicate glasses (aluminate-zirconia-silicate and borosilicate glasses) and their temperature and compositional dependences will be determined experimentally. Thermodynamic models bases on the associated solutions theory will be designed for the selected glass-forming systems. The thermodynamic models will be confronted with the results of experiments and of the molecular dynamics simulations.
Duration: 1.1.2006 – 31.12.2008
Štúdium fluoridových taveninových sústav s poteciálom pre priemyselné využitie
The study of the fluoride molten-salts systems with the potential for industrial application
Program: VEGA
Project leader: doc. Ing. Boča Miroslav DrSc.
Annotation: The submitted project deals with the study of the properties and structure of the molten electrolytes used for electrolytic deposition of refractory metals and deals with the investigation of the molten systems suitable for nuclear industry as cooling medium in secondary circuit, as well. The submitted project deals with the question of implementation of some spectral techniques adopted for high temperatures, like NMR and IR spectroscopies. This is significant development of the way how to obtain information about the composition and properties of the investigated systems.
Duration: 1.1.2006 – 31.12.2008
Štúdium štruktúry a dynamiky vodíkových väzieb v tuhých látkach netrónovou difrakciou, metódami kvantovej chémie a neelastickou neutrónovou spektroskopiou /INS/
Structure and dynamics of hydrogen bounds in solids by neutron diffraction, quantum chemistry and inelastic neutron spectroscopy/INS/
Program: VEGA
Project leader: RNDr. Smrčok Ľubomír CSc.
Annotation: Despite of the large amount of knowledge accumulated during the past 50 years a comprehensive view of hydrogen bonding phenomena is still far from being achieved. The proposed project focuses on the study of H-bonds in solid state by combined use of diffraction (X-ray and neutron diffraction), spectral (inelastic neutron scattering) and quantum chemical methods. The stress is however laid on implementation and application of the methods rather than on subjects themselves. The main aim of the project to find interplay between theoretical calculations and experiments done with the aim to understand the nature of hydrogen bonds in solids. It will be reached by making use of neutron scattering methods in conjunction with first principles calculations. Diffraction data taken at several temperatures will be used to analyze geometry of H bonds and to check for the presence of a static disorder of H atoms in the structure. The effect of hydrogen bonding on geometry of molecules, vibrational frequencies and INS intensities will be determined. Measured INS spectra will be reliably interpreted by direct comparison to calculated spectra and hydrogen modes will be identified.
Duration: 1.1.2006 – 31.12.2008
Transparentné materiály na báze Al2O3 s výnimočnými mechanickými vlastnosťami
Transparent alumina – based materials with outstanding mechanical properties
Program: VEGA
Project leader: prof. Ing. Galusek Dušan DrSc.
Annotation: The project is focused on research and development of transparent alumina-based materials with excellent mechanical properties and with potential applications as ceramic armours, windows with specific optical properties, or envelopes of high pressure metal halide discharge lamps. From the point of view of technology the project addresses: (1) the problems of advanced shaping techniques of ultra pure and ultra fine alumina powders with the goal of attainment of defect-free green bodies, which combined with specific low temperature sintering techniques yield pore-free ceramic bodies with nanometre-sized microstructures, and with high linear transmission in visible wavelength range, and (2) the problems of preparation of rare earth aluminate glass microspheres by flame spray pyrolysis and low temperature sintering of such microspheres at temperatures between Tg and Tm, which yield bulk transparent aluminate glasses with outstanding mechanical properties. The mechanical properties of glasses will be further enhanced by controlled heat treatment, which results in formation of nanocrystalline phases in glass. Fundamental scientific problems addressed by the project will include the study of mechanisms and kinetic parameters of low temperature sintering process, the influence of the parameters of microstructure (residual porosity, pore size) on the light transmission, the fundamental studies and interpretation of structure of rare earth aluminate glasses with the aid of advanced spectroscopic techniques, and the relations between the composition of aluminate glasses, the volume fraction, phase composition, and morphology of nanocrystalline phases in aluminate glasses on mechanical properties and light transmission of glasses and glass-ceramics.
Duration: 1.1.2006 – 31.12.2008
Vedomostný a technologický transfer v oblasti výskumu a vývoja prírodných nanomateriálov
Program: Európsky sociálny fond /ESF/ (MŠ SR, MPSVR SR)
Project leader: RNDr. Komadel Peter DrSc.
Duration: 1.1.2006 – 1.11.2008
MatNet – Vybudovanie výskumno-vývojovej a inovačnej siete pre oblasť materiálov a technológií ich spájania (MatNet)
Program: Európsky sociálny fond /ESF/ (MŠ SR, MPSVR SR)
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Project webpage: http://www.matnet.sav.sk/
Duration: 1.4.2006 – 30.9.2008
Komplexná analýza vzoriek
The complex analyze of the samples
Program: Other projects
Project leader: prof. Ing. Liška Marek DrSc.
Duration: 5.12.2007 – 18.7.2008
Klaster pokročilých štúdií – rozvoj ďalšej vzdelanosti v oblasti multidisciplinárneho výskumu a vývoja progresívnych materiálov a nanomateriálov s ohľadom na trvalo udržateľný rozvoj.
Program: Európsky sociálny fond /ESF/ (MŠ SR, MPSVR SR)
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Duration: 1.1.2006 – 31.5.2008
Fyzikálno-chemické a termodynamické vlastnosti priemyselne dôležitých fluoridových tavenín na báze hliníka, nióbu a tantalu.
Program: SRDA
Project leader: Ing. Korenko Michal PhD.
Duration: 1.2.2005 – 31.12.2007
Integorvaný medzirezortný prístup k skvalitneniu vzdelanostnej úrovne tvorivých zamestnancov sklárskeho priemyslu a k rozvoju experimentálnej základne aplikovaného výskumu
Integrated attitude to increase the quality of education of productive employees of glass industry and to development of experimental basis of applied research
Program: ŠPVV
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.3.2004 – 31.12.2007
Chemizmus a vybrané technologické dôsledky účinkov vlhkosti a síranov v materiáloch na báze cementu
Chemistry and selected technological consequences of the effects of moisture and sulfates in cement – based materials
Program: VEGA
Project leader: doc. RNDr. Drábik Milan CSc.
Duration: 1.1.2005 – 1.12.2007