Theory, Modeling and Numerical Simulation
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Theory, Modeling and Numerical Simulation

Theory, Modeling and Numerical Simulation

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About the Book

Volume is indexed by Thomson Reuters CPCI-S (WoS). No present-day research and development program is complete without the inclusion of a robust modeling and numerical simulation component. Models and model-based numerical simulations are extensively used to probe complex materials behavior and structure in order to obtain a deeper insight into the fundamentals of materials. Multi-physics models are becoming increasingly common, with advances in computational science, and are rapidly advancing the basic understanding of materials.

Table of Contents:
Preface 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


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Product Details
  • ISBN-13: 9783038132004
  • Publisher: Trans Tech Publications Ltd
  • Publisher Imprint: Trans Tech Publications Ltd
  • Language: English
  • ISBN-10: 3038132004
  • Publisher Date: 07 Apr 2008
  • Binding: Digital download and online
  • No of Pages: 180


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