E-MRS Fall Meeting 2006

 on-line journal

Presenting person

September 4th, Monday

11:00 Opening Ceremony - 2nd floor, Small Hall (237)
11:30 The Czochralski Award Ceremony
12:30 Lunch break
14:00 Simulation techniques for bridging length and time scales - Tetsuo Mohri, Véronique Pierron-Bohnes, Tomasz Wejrzanowski
14:00 00:30:00 Invited oral Irina V. Belova Bridging different length and time scales in diffusion problems using variable length lattice models
14:30 00:15:00 Oral Marek Danielewski Electro-Mechano-Chemistry; Transport Problem in Three Time Scales
14:45 00:15:00 Oral Simon P. Gill Concurrent multiscale Kinetic Monte Carlo-continuum models for the evolution of solids via diffusion
15:00 00:15:00 Oral Lukasz Madej Comparison of the strain distribution obtained from multi scale and conventional approaches
15:30 Coffee break
15:50 Phase Transformations - Stefan Müller, Hualong Li, Paweł Dłużewski
15:50 00:30:00 Invited oral Frederic Soisson Atomistic Monte Carlo simulations of phase transformations under irradiation
16:20 00:30:00 Invited oral Cornelis Bos Multi-lattice kinetic Monte Carlo simulation of interface controlled solid-state transformations
16:50 00:30:00 Invited oral Tetsuo Mohri First principles calculation of ordering transition
17:20 Poster Session 1 - Main Hall
17:20 #H-1 Poster Mikhail D. Starostenkov Point defects and their influence on thermoactivated disordering process of Ni3Al intermetallic
17:20 #H-2 Poster Irina V. Valikova Atomic and meso-scale simulation of the diffusion features of point defects.
17:20 #H-3 Poster Ludmila V. Selezneva Simulation of interstitial atom diffusion in fcc metals with point defects
17:20 #H-4 Poster Jiri K. Bursik Monte Carlo and Molecular Dynamics Simulation of Ordering and its Effect on Elastic Parameters in Ni-base Alloys
17:20 #H-5 Poster Graeme E. Murch Analysis of the time-dependence of the segregation of oxygen at metal-ceramic oxide interfaces using lattice Monte Carlo and finite element methods.
17:20 #H-7 Poster Maciej M. Spychalski Materials hardness estimation by simulation of the indentation process
17:20 #H-8 Poster Graeme E. Murch Stability of hollow nanospheres: a Molecular Dynamics study
17:20 #H-9 Poster Marek Muzyk Thermal properties of L10-TiAl from first principle calculations
17:20 #H-10 Poster Jacek Piechota First principles study of Al(100) twisted interfaces
17:20 #H-11 Poster Robert Sot Predicting site occupation of Fe in B2 NiAl from ab initio computations
17:20 #H-12 Poster Pawel S. Zieba Interface dynamics of melt instabilities on semiconductor surfaces
17:20 #H-13 Poster Tomasz Wejrzanowski Grain Boundary Migration in Nanocrystalline Iron
17:20 #H-14 Poster Mikhail D. Starostenkov The research of thermoactivated changes of the structure of antiphase boundaries in Cu3Au and Ni3Al alloys
17:20 #H-15 Poster Rozaliya I. Barabash Multiscale Plastic Deformation Near Fatigue Crack From Diffraction
17:20 #H-16 Poster Tomasz Wejrzanowski Statistical model of grain growth in polycrystalline nanomaterials

September 5th, Tuesday

09:00 Ordering Processes - Carlo Massobrio, Alain Barbu, Robert Sot
09:00 00:30:00 Oral Christian Abromeit Molecular Dynamics Simulation of Swift-Ion-Induced Phase Transformations in a Model NiAl Alloy
09:30 00:15:00 Oral Katri Laaksonen Multiscale simulation of ordering processes in GaInN and GaAlN
09:45 00:15:00 Oral Rafal Kozubski Effect of Fe addition on ordering kinetics in Ni3Al1-xFex . Monte Carlo simulation
10:30 Coffee break
11:00 Precipitate Formation - Christian Abromeit, Simon P. Gill, Robert Filipek
11:00 00:30:00 Invited oral Stefan Müller Ab-initio statistical physics of precipitate evolution in metal alloys
11:30 00:30:00 Invited oral Alain Barbu Cluster dynamics modelling of materials : advantages and limitations.
12:00 00:15:00 Oral Nuno Araújo Early stages of island nucleation and growth on Ag/Ag(100)
12:15 00:15:00 Oral Byeong-Joo Lee An Atomistic Approach to the Effect of Cr on the Rate of Void Formation and Agglomeration in bcc Fe
12:30 Lunch break
14:00 Simulation of Defect Processes - Irina V. Belova, Jiri K. Bursik, Dariusz Chrobak
14:30 00:15:00 Oral Véronique Pierron-Bohnes Interdiffusion of two L10 phases without order decrease : experiments and molecular dynamics simulations
14:45 00:20:00 Oral Mihai-Cosmin Marinica Stability and mobility of interstitial clusters in alpha-iron: ab initio and empirical potential calculations
15:00 00:15:00 Oral Mikhail D. Starostenkov The stability of vacancy clusters in fcc crystals
15:15 00:15:00 Oral Guillaume Vérité Kinetics of point defects in hcp-Zr from first principles
15:30 Coffee break
15:50 Microstructure, Layers and Thin Films - Frederic Soisson, Cornelis Bos, Pawel S. Zieba
15:50 00:15:00 Oral Sergey A. Lurie Multiscale modeling of the interphase layer and its applications in mechanics of materials
16:05 00:15:00 Oral Witold Kucza Electrochemical impedance spectroscopy simulations of multilayer systems: from nano- to mesoscale films.
16:20 00:15:00 Oral Hualong Li Monte Carlo Simulation of Texture and Microstructure Transformation During Annealing Process of Steel
16:35 00:15:00 Oral Nele Moelans 3-D phase field simulations of grain growth in polycrystalline films
16:50 00:15:00 Oral Paweł Dłużewski FE and MD simulation of InGaN QD formation induced by stress field of threading dislocations
17:05 00:15:00 Oral Shuo Wang YANG Why and how does hydrogen in silicon carbide thinfilms degrade the Ta barrier? - Large-scale ab initio molecular dynamics simulations of Ta growth

September 6th, Wednesday

09:30 Plenary Session - 2nd floor, Small Hall (237)
10:30 Coffee break
11:00 Plenary Session - 2nd floor, Small Hall (237)
12:30 Lunch break
14:00 Simulation of Nanostructures - Murray S. Daw, Sergey A. Lurie, Marek Muzyk
14:00 00:30:00 Invited oral Carlo Massobrio Understanding materials at the atomic scale: first-principles molecular dynamics simulations of nanostructures and disordered systems
14:30 00:15:00 Oral Zoltán Erdélyi Interface shape change and shift kinetics on the nanoscale
14:45 00:15:00 Oral António Cadilhe Single layer colloidal films on nanopatterned substrates
15:00 00:15:00 Oral Robert Filipek Multiscale modelling of mass and charge transport in electrochemical and biological systems
15:30 Coffee break
15:50 Poster Session 2 / Poster Award Ceremony - (continuation of Monday's Poster Session), Main Hall
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