Theory, Modeling and Numerical Simulation.

Intro -- Theory, Modeling and Numerical Simulation -- Preface -- Table of Contents -- Atomistic Simulations of the Aluminum-Silicon Interfaces under Shear Loading -- Shock Loading of Bone-Inspired Metallic Nanocomposites -- Hydrogen Storage in MgH2 Matrices: An Ab-Initio Study of Mg-MgH2 Interface -- First-Principles Calculations of the Atomic and Electronic Structures in Au-Pd Slab Interfaces -- In-Diffusion and Out-Diffusion of Oxygen from a Composite Containing Random Traps -- Effects of Supports on Hydrogen Adsorption on Pt Clusters -- First-Principles Calculations of Pd/Au(100) Interfaces with Adsorbates -- In-Plane Rotated Crystal Structure in Continuous Growth of Bismuth Cuprate Superconducting Film -- Dynamical Interaction between Thermally Activated Glide of Screw Dislocation and Self-Interstitial Clusters in Bcc Fe -- The Effects of Solute Segregation on the Evolution and Strength of Dislocation Junctions -- Physics Mechanisms Involved in the Formation and Recrystallization of Amorphous Regions in Si through Ion Irradiation -- Hotspot Formation in Shock-Induced Void Collapse -- Molecular Dynamics Simulation of Nanocrystalline Tantalum under Uniaxial Tension -- Diffusion Mechanisms near Tilt Grain Boundaries in Ni3Al Intermetallide -- Phase-Transformation Wave Dynamics in LiFePO4 -- Molecular-Dynamics Analysis of the Structural Properties of Silica during Cooling -- Atomistic Simulations of Copper Precipitation and Radiation Induced Segregation in α-Iron -- Ab-Initio Calculation for the Study of Nano Scale Silicon Based Device Structure -- Modelling of Elastic Modulus and Molecular Structure Interrelationship of an Oriented Crystalline Polymer -- Reaction Rate as an Effective Tool for Analysis of Chemical Diffusion in Solids.

Simulation of the Columnar-to-Equiaxed Transition in Alloy Solidification - The Effect of Nucleation Undercooling, Density of Nuclei in Bulk Liquid and Alloy Solidification Range on the Transition -- Simulation of Surface-Enhanced Ordering in Smectic Films -- Atomic Scale Modelling of Materials: A Prerequisite for any Multi-Scale Approach to Structural and Dynamical Properties -- Morphological Evolution of Intragranular Void under the Thermal-Stress Gradient Generated by the Steady State Heat Flow in Encapsulated Metallic Films: Special Reference to Flip Chip Solder Joints -- Effect of C on Vacancy Migration in α-Iron -- Keywords Index -- Authors Index.

Selected, peer reviewed papers from the Symposium: Theory, Modeling and Numerical Simulation of Multi-Physics Materials Behavior organized within the MRS Fall Meeting 2007 held in Boston MA, USA, November 26-30, 2007.

Description based on publisher supplied metadata and other sources.

Electronic reproduction. Ann Arbor, Michigan : ProQuest Ebook Central, 2024. Available via World Wide Web. Access may be limited to ProQuest Ebook Central affiliated libraries.