Theory, Modeling and Numerical Simulation

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