E-MRS Fall Meeting 2004

 on-line journal

Time
 Duration
 Type
 Presenting person
 Title

September 6th, Monday

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
15:50 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

September 7th, Tuesday

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
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 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
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
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

September 9th, Thursday

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
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
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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