Atomic Simulations of Metal/Ceramic Interfaces, Nanophase Composites, and Mems on Parallel Computers

Abstract

In the past three years of this project, we have performed large-scale (10-10 atoms) molecular dynamics (MD) simulations to investigate: 1. Structure and mechanical properties of nanostructured ceramics; 2. Dynamic fracture in ceramics and nanocomposites; 3. Dynamics of oxidation of metallic nanoparticles; 4. Simulation of internal stresses at silicon/silicon nitride interfaces; 5. Nanindentation of silicon nitride. These MD simulations have been executed with highly efficient, portable and scalable, multiresolution algorithms including the fast multipole method for the long-range Coulomb interaction, a dynamic load-balancing scheme for mapping irregular applications on parallel machines, and fractal-based data compression for scalable I/O and data communicants.

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Document Details

Document Type
Technical Report
Publication Date
Jan 01, 2000
Accession Number
ADA387467

Entities

People

  • Priya Vashishta
  • Rajiv K. Kalia

Organizations

  • Louisiana State University

Tags

Communities of Interest

  • Advanced Electronics
  • Biomedical

DTIC Thesaurus Topics

  • Algorithms
  • Ceramic Materials
  • Ceramic Matrix Composites
  • Composite Materials
  • Computational Modeling
  • Computer Simulations
  • Material Degradation Processes
  • Materials
  • Materials Laboratories
  • Materials Processing
  • Materials Science
  • Mathematical Models
  • Mechanical Properties
  • Metallic Nanoparticles
  • Molecular Dynamics
  • Nanoparticles
  • Silicon Carbide

Fields of Study

  • Physics

Readers

  • Computational Fluid Dynamics (CFD)
  • Nanocomposite Materials Science
  • Parallel and Distributed Computing.

Technology Areas

  • Biotechnology
  • Microelectronics