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Microstructure Modelling Session A1 Mon 4 Oct 1115
3D atomistic modeling of quasi-brittle microcrack propagation in alpha-iron V.A. Borodin	11:00 AM
A molecular dynamics simulation of the strength of cementite Fe3C and αFe/Fe3C pearlitic lamellae Aitor Luque	11:20 AM
Atomic-Scale Study of Nanoindentation in Iron and Copper Yury Osetskiy	11:40 AM
Atomistic study of grain size effect on elastic moduli in nanocrystalline tungsten Julien Durinck	12:00 PM
Calculation of the Peierls stress from atomistic simulations for bcc tungsten: screw vs. edge dislocations Bernd Eberhard	12:20 PM

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Microstructure Modelling Session A2 Mon 4 Oct 1015
Modelling the kinetics of annealing - a case of freestyle racing Volker Mohles	11:00 AM
Comparing grain growth experiments and simulations of SrTiO3 specimen in three dimensions Melanie Syha	11:40 AM
Comparison of Cellular Automata and Phase Field Methods for Modeling of Annealing Brijesh Singh	12:00 PM
Abnormal grain growth in electrical steels: a thorough simulation study Luis Barrales-Mora	12:20 PM

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Microstructure Modelling Session B1 Mon 4 Oct 1115
Decohesion and buckling of thin films on substrates: a molecular dynamics approach Julien Durinck	2:00 PM
Hybrid Simulation between Microscopic and Macroscopic Particle Methods: Application to Deformation and Fracture of Solid Material Ken-ichi Saitoh	2:20 PM
Strengthening and formation nano-composites in diamond-like amorphous carbon Alexander Belov	2:40 PM
Formation of Stacking-Fault Tetrahedra in Selected Metals and in TiAl by Annihilation of Edge Dislocations Hao Wang	3:00 PM
The interaction of screw and edge dislocations with Cr precipitates in FeCr alloy: An atomistic study Giovanni Bonny	3:20 PM

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Microstructure Modelling Session B2 Mon 4 Oct 1015
Coupled Crystal Plasticity-Phase Field Formulation to Describe the Microstructural Evolution in Polycrystalline Aggregates During Thermal Recrystalisation Esteban Busso	2:00 PM
Effects of Tilt Grain Boundary Property on Grain Growth using Multi-Phase-Field Model Tomoyuki Hirouchi	2:20 PM
Grain growth modelling: a direct comparison of vertex model with phase-field model results Michael Selzer	2:40 PM
Influence of mechanical stresses on grain growth mechanisms in nanocrystalline materials Ingo Steinbach	3:00 PM
Modeling Microstructure and Texture Evolution during Recrystallization considering Precipitation Effects Carmen Schäfer	3:20 PM

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Microstructure Modelling Session C Mon 4 Oct 1115
Atomically-Constrained Network Dislocation Dynamics Giacomo Po	4:20 PM
Dynamics of Diffusion-controlled Dislocation Loop Coarsening in FCC Crystals Botond Bako	4:40 PM
Laue diffraction spots obtained from 3D dislocation dynamic simulations Jorge Martinez Garcia	5:00 PM
Temporal Coarse Graining in Dislocation Dynamics Jie Deng	5:20 PM
Modeling mechanical behavior of geomaterials by the extended finite-element method Dashnor Hoxha	5:40 PM

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Microstructure Modelling Session D Tue 5 Oct 1115
Multiscale simulations of thermal stability of nanocrystalline iron Tomasz Wejrzanowski	11:00 AM
Simulation of abnormal grain growth in two and three dimensional grain structures Daniel Weygand	11:20 AM
Evaluation of Texture Models for Deformation and Recrystallization Applied to AA6016 Christian Bollmann	11:40 AM
Modelling of the Microstructure of Sintered Ceramics for Finite Element Simulations of their Electrical Properties Thomas Müller	12:00 PM
Modeling of Micromechanical Deformation Systems of Magnesium based on Incremental Energy Minimization Malek Homayonifar	12:20 PM

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Microstructure Modelling Session E Tue 5 Oct 1115
Microstructure Modeling on the Basis of the Phase-Field Method Toshiyuki Koyama	2:00 PM
An integrated approach for cellular materials: Phase-field modelling of foam evolution and processing Frank Wendler	2:40 PM
Phase-field modeling of the columnar-to-equiaxed transition in AlSi7 alloy solidification Alexandre Viardin	3:00 PM
Multiphysics multiscale effects in two laterally coupled AlN/GaN quantum dots with wetting layer Sanjay Prabhakar	3:20 PM

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Microstructure Modelling Session F Tue 5 Oct 1115
A Multi-scale Model of Martensite Transformation Plasticity in Metastable Austenitic Steels Varvara Kouznetsova	4:20 PM
Application of crystal plasticity to modeling the deformation behavior of sheet metal mesocrystals Benjamin Klusemann	4:40 PM
Continuum theory of dislocations: finite element simulations of microstructure evolution during micro indentation Giacomo Po	5:00 PM
Crystal plasticity modeling and experiments to improve the micromechanical understanding of single crystal γ-TiAl and γ-TiAl based microstructures Claudio Zambaldi	5:20 PM
Dislocation Junction formation and strength in hcp metals Laurent Capolungo	5:40 PM

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Microstructure Modelling Session G Wed 6 Oct 1115
Multiscale modelling of magnetisation structures and dynamics Roy Chantrell	11:00 AM
Efficient calculation of long range magnetic interaction fields in a phase-field model for MSM alloys Marcus Jainta	11:40 AM
Multiscale Description of the Domain Wall Motion Elena Y. Vedmedenko	12:00 PM
Multipolar Approach for Large-Scale Simulations of Magnetic Arrays Elena Y. Vedmedenko	12:20 PM

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Microstructure Modelling Session H Thu 7 Oct 1115
Atomistic calculations of the elastic properties of Cu/Cu-oxide planar interfaces Abdelmalek Hallil	11:00 AM
Reconstruction of dislocations in interface layer Cu-Al2O3 Marcin Maździarz	11:20 AM
Response of a Σ11 Asymmetric Tilt Grain Boundary in Copper to an Applied Shear Stress at Finite Temperatures Saryu Fensin	11:40 AM
Grain-Boundary Shear-Coupled Migration Affected By Intergranular Nanocracks Aitor Luque	12:00 PM
Calculation of Solid-Liquid Interfacial Free Energies from Atomistic Computer Simulation Brian Laird	12:20 PM

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Microstructure Modelling Session I1 1115
Ab initio modeling to improve oxygen tolerance of Ti alloys Dallas Trinkle	2:00 PM
Analytic Bond-Order Potentials for Modelling Topologically Close-Packed Phases in Transition Metals Thomas Hammerschmidt	2:20 PM
Atomistic Models for Variable Oxidation States Steve Valone	2:40 PM
Multiscale simulations of atomic ordering in nano-layered FePt Jan Wróbel	3:00 PM
Designing Lighter Ti Alloys using First-principles Computational Approach Donald Shih	3:20 PM

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Microstructure Modelling Session I2 Thu 7 Oct 1199
Formation and evolution of dislocation wall structures: Grain boundaries, cell walls, and self-similarity Woosong Choi	2:00 PM
Modeling and experimental investigation of microstructure, residual stresses and monotonic deformation behavior of aluminum matrix composites Marek Smaga	2:20 PM
Plumber's Wonderland Found on Graphene Ju Li	2:40 PM
Investigation and modeling of the material behavior due to evolving dislocation microstructures in fcc and bcc metals Till Clausmeyer	3:00 PM
Modelling the effect of the stress field of dislocations on carbon diffusion in BCC iron Roberto Gomes de Aguiar Veiga	3:20 PM

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Microstructure Modelling Session K1 1115
Effect of impurities on structural, cohesive, and magnetic properties of grain boundaries in α-Fe Elwira Wachowicz	4:20 PM
Fe-Cr alloys by first-principle calculations and synchrotron x-ray measurements. Anne-Christine Uldry	4:40 PM
First-principles calculation of dislocation/solute interactions and modeling of strength in Mg Dallas Trinkle	5:00 PM
The solubility of carbon in bcc iron under volumetric strain: comparison of DFT and semi-empirical methods Elisaveta Hristova	5:20 PM
Optimizing of mechanical properties of nanometals Romuald Dobosz	5:40 PM

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Microstructure Modelling Session K2 1199
Multiscale modeling of texture and plastic anisotropy in a cup drawing process Jerzy Gawad	4:20 PM
Multiscale Simulation of Deformation Processes in Welded Steel Specimens Varvara Romanova	4:40 PM
Strain gradient crystal plasticity for miniaturization and microstructures with interfaces Marc Geers	5:00 PM
Transformation Induced Plasticity Modelling Based on Micromechanical Approaches Benjamin Schmaling	5:20 PM
Validation of phenomenological and dislocation-based constitutive laws for crystal plasticity of hexagonal Ti Philip Eisenlohr	5:40 PM

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Microstructure Modelling Session L1 Fri 8 Oct 1115
Multiscale Modeling of Microstructure and Microstructural Evolution Anthony Rollett	9:00 AM
Atomistic kinetic Monte Carlo simulation of Iron Chromium phase decomposition parameterised on ab initio calculations Davide Costa	9:40 AM
Atomistic Simulation of Laser Ablation of Gold Sergey Starikov	10:00 AM
Computational Modeling of the Sintering Process in Thermal Barrier Coating Systems Karim Ahmed	10:20 AM

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Microstructure Modelling Session L2 Fri 8 Oct 1098
Computing the phase diagram of the FeCr binary alloy by path-sampling simulation Gilles Adjanor	9:00 AM
Numerical Determination of Effective Material Properties of Porous media Jürgen Becker	9:20 AM
Computationally driven design of innovative cement-based materials - a multiscale approach on calcium leaching Christian Neuen	9:40 AM
Atomic-discrete simulation of crystal state of alloys of a complex chemical composition Baranov Michail	10:00 AM
Influence of plastic effects on the kinetics of phase transitions Robert Spatschek	10:20 AM

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Microstructure Modelling Session M Fri 8 Oct 1115
Status of atomic-level simulations of solid phase epitaxial recrystallization of amorphous Si Matthias Posselt	11:20 AM
Multi phase cellular automaton simulation of the heat treatment of dual phase steel Franz Roters	11:40 AM
Growth and melting kinetics in NiZr alloy: linking phase-field modeling to molecular dynamics simulations Mohammed Guerdane	12:20 PM
Kinetics of Al-Au Wirebonds: Phenomenological Model and First-Principles Investigation Christian M. Ulrich	12:40 PM

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Microstructure Modelling Session P 05/06.10.2010
Atomic Mechanisms of Structural and Superstructural Transformations in CuAuI Alloy Aleksandr Potekaev	6:40 PM
Atomistic Simulation of Solid-Solid Phase Transformations In Fe Nanowires Using Molecular Dynamics Amir Hossein Salahshoor	6:40 PM
Atomistic simulation of xenon crystal growth via low-temperature atom beam deposition (LT-ABD) J. Christian Schoen	6:40 PM
Comparison of two Recrystallization Models within a TPM-Framework for Sheet Production Thiemo Brüggemann	6:40 PM
Cr segregation at tilt grain boundaries in Fe-Cr alloys modeled at atomic scale level Xinfu He	6:40 PM
Dislocation Density Vector Representation of Dislocation Dynamics Simulations Craig Hartley	6:40 PM
Dynamics and Kinetics of Dislocations in Metals under Dynamic Loading Alexey Kuksin	6:40 PM
Efficiency study of metal foams for heat storage and heat exchange Anastasia August	6:40 PM
Grain boundary energies for cubic-ZrO2 bicrystals Juan Jose Meléndez	6:40 PM
Homogenized Elasticity of Martensitic Microstructures Hanus Seiner	6:40 PM
Influence of oxygen on the fracture of tungsten Jürgen Almanstötter	6:40 PM
Microstructure formation and hysteresis in shape memory alloys Oliver Kastner	6:40 PM
Modeling of Ti-6Al-4CV Alloy by Artificial Neural Networks N.S. Reddy	6:40 PM
Modeling the evolution of subgrain structure during recovery and creep by discrete dislocation dynamics Péter Dusán Ispánovity	6:40 PM
Modelling of cold rolling texture formation in ferritic-austenitic steel using self-consistent viscoplastic model and finite element method Marcin Kowalski	6:40 PM
Modelling the microstructure evolution of a ferritic hot work tool steel during short-term creep Friedrich Krumphals	6:40 PM
Molecular Dynamic Simulation of Crack Tip Propagation in Single Crystal FCC Metals Under Uniaxial Tension Amir Hossein Salahshoor	6:40 PM
Molecular Dynamics Simulation: A Powerful Tool for Engineering Condensed Matter Thorsten Köddermann	6:40 PM
Morphologies during Nucleation in Al-Si binary alloys and Growth in Ternary Eutectic Systems Abhik Choudhury	6:40 PM
Multiscale analysis of deformation and fracture in coated material under dynamic loading. Numerical simulation Ruslan Balokhonov	6:40 PM
Numerical study of convection-induced peritectic macro-segregation effect at the directional counter-gravity solidification of Ti-46Al-8Nb intermetallic alloy Andrey Kartavykh	6:40 PM
Porous Media Microstructure Reconstruction Using Pixel-based and Object-based Simulated Annealing – Comparison with Other Reconstruction Methods Alysson Diogenes	6:40 PM
Signed dislocation densities and their spatial gradients as basis for a non-local crystal plasticity model Christoph Kords	6:40 PM
Simulation of diffusion processes in yttria tetragonal zirconia polycrystals Robert Luis González-Romero	6:40 PM
Simulation of the Deformation and Failure Behavior of Bronze Particle Filled PTFE Compounds Zoltan Major	6:40 PM
Simulation of Yielding Behavior in Polycrystalline Materials by the X-FEM Yuji Nakasone	6:40 PM
Stress Intensity Factors for Cracks in Pore Chanels Structures Aleksandra Borovik	6:40 PM
Study of eclecronic structure and conductivity of liquid metallic sodium under high pressure and temperature Peter Zhilyaev	6:40 PM
Sub grain formation in plastically deformed microstructures in the combined simulation of rolling and annealing for static recrystallization with the phase-field method Alexander Vondrous	6:40 PM
The Effects of Thermoactivated Atomic Reconstruction Near Planar Defects in the Ordered Superstructures L12 and L10 Aleksandr Potekaev	6:40 PM
The Excitation of Oscillation Modes Localized on an Interstitial Atom in 2-D Crystal Medvedev Nikolay	6:40 PM
The Peculiarities of Structural Reconstruction of Nanofibers of L12 Superstructure Alloys Containing Long-Periodic APB in the Process of High-Velocity Tension Deformation Aleksandr Potekaev	6:40 PM
Three dimensional Reconstruction of PEFC Catalyst Layers Simon Thiele	6:40 PM
Two-dimensional Real-valued Cellular Automata and Applications in Micro-structure Modelling Xu Xu	6:40 PM
Relaxed grain cluster (RGC) scheme polycrystalline homogenization Denny Tjahjanto	6:40 PM
The Molecular dynamics simulation on the Evolution of Deformation-Induced Nano-Crystallizaion in Metallic Glasses Ni Xianggui	6:40 PM