Theory, Modeling and Numerical Simulation

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
Erscheinungsjahr 2008
ISBN: 978-3-908451-56-3
Verlag: Trans Tech Publications

Buch, Englisch, 180 Seiten, Format (B × H): 170 mm x 240 mm, Gewicht: 500 g

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.

Autoren/Hrsg.

Tikare, Veena

Murch, Graeme E.

Soisson, Frédéric

Kang, Jeung Ku

Fachgebiete

• Mathematik | Informatik Mathematik Numerik und Wissenschaftliches Rechnen Numerische Mathematik
• Mathematik | Informatik EDV | Informatik Angewandte Informatik Computeranwendungen in Wissenschaft & Technologie
• Technische Wissenschaften Technik Allgemein Modellierung & Simulation

Inhaltsverzeichnis

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 a-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 a-Iron