E-MRS Fall Meeting 2004

 on-line journal

Time
 Duration
 Type
 Presenting person
 Title

September 6th, Monday

14:00 Afternoon session - Main Building, room 231
14:00 00:30:00 invited oral GEORGE D. VERROS Finite Element Analysis of Diffusion Controlled Phase Transformation
14:30 00:15:00 oral Stefano Mariani Time multiscale analysis of dynamic delamination
14:45 00:15:00 oral Varvara A. Romanova 3D simulation of deformation and fracture in heterogeneous materials
15:00 00:15:00 oral Pravin P. Deshpande A numerical investigation of ductile fracture initiation in ultra high strength low alloy NiSiCrCoMo steel
15:30 Coffee break
15:50 Afternoon session - continued - Main Building, room 231
15:50 00:30:00 invited oral Jan Cwajna COMPUTATIONAL IMAGE ANALYSIS OF MATERIALS MICROSTRUCTURE
16:20 00:30:00 invited oral Leszek Wojnar 3-D image analysis in materials science
16:50 00:15:00 oral Elzbieta Kaczmarek Digital image analysis and visualization of early caries changes in human teeth
17:05 00:15:00 oral Henryk Petryk A micromechanical model of stress-induced martensitic transformations in shape memory alloys
17:20 00:15:00 oral Roman Pielaszek Measuring the Grain Size Distribution of Pr-doped Zirconia Nanopowders obtained by Microwave Driven Hydrothermal Synthesis
19:00 Poster session
19:00 #H-01 poster Anna Boczkowska FINITE ELEMENT MODELLING OF THE RESIDUAL STRESSES IN THE CERAMIC-ELASTOMER COMPOSITES
19:00 #H-02 poster Kateryna M. Borysovska Modelling the interaction of crack tip with nanostructure, which creating by deformation.
19:00 #H-03 poster Khellil Bouamama First-principles calculations of beryllium chalcogenide BeS1-xSex properties
19:00 #H-04 poster Sergey V. Danik Temperature breakdown phenomenon in zinc monocrystal in strong magnetic fields
19:00 #H-05 poster Zbigniew Dendzik Interaction induced depolarized light scattering and dipolar absorption spectra of exohedral complexes of rare gases with fullerenes and nanotubes
19:00 #H-06 poster Zbigniew Dendzik Dynamics of rare gas ultra thin atomic films covering single-walled carbon nanotubes
19:00 #H-07 poster Zbigniew Dendzik Structural and dynamical properties of water surrounding a carbon nanotube - computer simulation study
19:00 #H-08 poster Zbigniew Dendzik A molecular motor constructed from a double-walled carbon nanotube - computer simulation study
19:00 #H-09 poster Dmytro M. Freik Influence of thickness of PbS thin films on the scattering mechanis
19:00 #H-10 poster Bettina Heidberg Ceramic hydration with expansion: The structure and reaction of water layers on magnesium oxide. A cyclic cluster study.
19:00 #H-11 poster Jacek Jackiewicz TECHNIQUES FOR EVALUATING STRESSES AND STRAINS IN MICRO-SYSTEMS
19:00 #H-13 poster Tomasz Jaroń Modelling electronic structure of unusual metallic fluorides of Ag(II)
19:00 #H-14 poster Jan Łażewski First-principles study of phonon-based properties of magnetic CuFeS_2
19:00 #H-15 poster Aurelian Marcu Ablated Particle Movement in a Pulsed Laser Deposition System
19:00 #H-16 poster Sergey V. Ovsyannikov Multi-component structures with varying configuration
19:00 #H-17 poster Paweł Brol Molecular dynamics simulations of cyanoadamantane multilayers between graphite substrates
19:00 #H-18 poster Paweł Brol Computer Simulations study of solid C_{60} doped by hydrogen cyanide molecules
19:00 #H-19 poster Przemysław Raczyński Molecular dynamics of cholesterol in thin film surrounded carbon nanotube
19:00 #H-20 poster Przemysław Raczyński Molecular dynamics study of the fullerene - cholesterol mixture cluster
19:00 #H-21 poster Przemysław Raczyński Molecular dynamics and dielectric relaxation of nitrogen oxide near fullerene "sphere" - computer simulation
19:00 #H-22 poster Przemysław Raczyński The search for minimum energy structures of small atomic clusters - application of the ant colony algorithm
19:00 #H-23 poster Anatoliy Senyshyn Origin of the negative thermal expansion in perovskite-type PrGaO_3
19:00 #H-24 poster Dariusz Siniarski The diffusion model of nitrogen and carbon during carbide phases transformation into nitrocarbides
19:00 #H-25 poster Michał Skrzypek DEPOLARIZED LIGHT SCATTERING FROM THIN FULLERENE LAYER CONFINED BETWEEN GRAPHITE PLAINS - MD STUDY
19:00 #H-26 poster Michał Skrzypek FULLERENE LAYERS BETWEEN GRAPHITE WALLS - COMPUTER SIMULATION
19:00 #H-27 poster Michał Skrzypek MOLECULAR DYNAMICS STUDY OF SOLID AND LIQUID PHASE OF (C_{60})Ar_{44} MIXTURE CLUSTER
19:00 #H-28 poster Mariusz Sokół Cholesterol molecule adsorption on carbon nanotube
19:00 #H-29 poster Mariusz Sokół Dynamical properties of C_{60}(H_2O)_{50} mixture cluster - molecular dynamics simulation
19:00 #H-30 poster Robert Sot Atomic-scale Ab-initio computations of the B2-RuAl
19:00 #H-31 poster Robert Sot Ab-initio calculations of elastic properties Ni3Al and TiAl under pressure
19:00 #H-32 poster Sebastian M. Stach Multifractal description of fracture morphology: quasi 3D analysis of fracture surface
19:00 #H-33 poster Sebastian M. Stach Multifractal description of fracture morphology: full 3D analysis of fracture surface
19:00 #H-34 poster Kazimierz Stróż Symmetry on the plane - the CPD function
19:00 #H-35 poster Agnieszka Szczotok NEW POSSIBILITIES OF LIGHT MICROSCOPY RESEARCHES RESULTING FROM DIGITAL RECORDING OF IMAGES
19:00 #H-36 poster Jerzy Wawszczak Methods of estimation of the Hurst exponent - the analysis of the usefulness in research of the fracture surface
19:00 #H-38 poster Wolfgang Hahn Specific heat releated to details of the vibrational modes for a 2D nanocrystalline material
19:00 #H-39 poster Pawel JOZWIK Mechanical properties of microcrystalline Ni3Al intermetallic alloy
19:00 #H-40 poster Milan Ambrožič Percolation Threshold Model and its Application in the Electrical Conductivity of Layered BaTiO3-Ni Composites

September 7th, Tuesday

11:00 Morning session - Main Building, room 231
11:00 00:30:00 invited oral Chris Wolverton The Role of Quantum Mechanics in Virtual Aluminum Castings
11:30 00:30:00 invited oral Wojciech Grochala Superconductivity and the grand periodic table of the chemical elements
12:00 00:15:00 oral Helmut Hermann Influence of the packing effect on stability and transformation of nanoparticles embedded in random matrices
12:15 00:15:00 oral Rafal Kozubski ATOMISTIC MODELLING OF SUPERSTRUCTURE REFINEMENT IN CRYSTALLINE MATERIALS
12:30 Lunch break
14:00 Afternoon session - Main Building, room 231
14:00 00:30:00 invited oral Dieter Wolf Deformation Mechanisms in Nanocrystalline Materials by Molecular-Dynamics Simulation
14:30 00:30:00 invited oral László Gránásy Nucleation and polycrystalline growth in phase field theory
15:00 00:15:00 oral MICHA POLAK Computational prediction of compositional separation, ordering and heat-capacity effects in surface-segregated binary & ternary alloy nanoclusters
15:15 00:15:00 oral Mikhail D. Starostenkov DIFFUSION MECHANISM AT THE GRAIN BOUNDARIES IN TWO-DIMENSIONAL METALS
15:30 00:15:00 oral Wlodzimierz KLONOWSKI Fractal and Symbolic Methods for Nanomaterials Science and Nanosensors

September 8th, Wednesday
09:00 Morning session - Main Building, room 231
09:00 00:30:00 invited oral Raimund Podloucky Materials properties from ab initio approaches
09:30 00:30:00 invited oral Stefan Müller Ab-initio thermodynamics of metal alloys: From the atomic to the mesoscopic scale
10:00 00:15:00 oral Sergiy G. Nedilko Modelling and ab initio calculation of electronic structure of lead and cadmium tungstate crystals doped with the rare-earth ions
10:30 Coffee break
11:00 Morning session - continued - Main Building, room 231
11:00 00:30:00 invited oral Krzysztof Parlinski Vibrational and thermodynamical properties of solids
11:30 00:30:00 invited oral Carlo Massobrio Atomic structure and intermediate range order in network-forming disordered materials
12:00 00:15:00 oral Nevill Gonzalez Szwacki Structural properties of MnTe, ZnTe, and ZnO, and phase stability of Mn_xZn_{1-x}Te alloy
12:15 00:15:00 oral Pedro García-Mochales Atomic Configuration of Nanocontact: Ionic Shell and Sub-shell Structures
12:30 Lunch break
14:00 Afternoon session - Main Building, room 231
14:00 00:30:00 invited oral Walter Wolf Vibrational properties and thermochemistry from first principles
14:30 00:30:00 invited oral Masanori Kohno Magnetic and Electronic Properties of new Ferrimagnet Sr_8CaRe_3Cu_4O_{24}
15:00 00:15:00 oral Jacek Piechota Phase transition in the Nd-Fe-B system
15:15 00:30:00 invited oral Berit Hinnemann Surface and biological catalysts for ammonia synthesis and hydrogen evolution
19:00 Poster session - continued

September 9th, Thursday

09:00 Morning session - Main Building, room 231
09:00 00:30:00 invited oral Mike W. Finnis The Embrittlement of Cu by Bi: explanation based on first-principles calculations
09:30 00:30:00 invited oral Jun Nara Theoretical study on electron transport properties of an organic molecule
10:00 00:15:00 oral Minoru Ikeda First principles molecular dynamics simulations for amorphous HfO_2 and HfSiO_2
10:15 00:15:00 oral Ryszard B. Pecherski Ab Initio Calculations of the Critical Values of Elastic Energy Density
10:30 Coffee break
11:00 Morning session - continued - Main Building, room 231
11:00 00:30:00 invited oral Adam Kiejna Density-functional study of oxygen adsorption on Mo(112)
11:30 00:30:00 invited oral Pablo Ordejon Using local orbitals to compute dynamical properties of materials
12:00 00:15:00 oral Ole Wieckhorst Surface phase diagram of CoAl(100)
12:15 00:15:00 oral Maria E. Grillo Combined Surface Science and Density Functional Theory Approach towards Water Ordered Structures Formation on Magnetite
12:30 Lunch break
14:00 Afternoon session - Main Building, room 231
14:00 00:30:00 invited oral Roman Nowak PLASTIC PROPERTIES OF GaN AND Al_2O_3 CRYSTAL: FEM-SIMULATION OF NANOINDENTATION CONFIRMED BY HIGH-RESOLUTION MICROSCOPY
14:30 00:15:00 oral Petr Lazar Ab-initio calculation of the influence Cr-microalloying on the mechanical properties of NiAl
14:45 00:15:00 oral Hilmi Unlu COMPOSITION AND PRESSURE EFFECTS ON BANDGAPS AND BAND OFFSETS IN II-VI HETEROSTRUCTURES
15:00 00:15:00 oral Elwira Wachowicz A DFT study of the oxidation of the clean and hydrogenated Si-rich SiC surface
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