Computer Molecular Dynamics Simulation Studies of Grain-Boundary Structures. 2. Migration, Sliding, and Annihilation in a Two-Dimensional Solid

Abstract

The dynamics of a high-angle tilt boundary in a triangular lattice with a truncated Lennard-Jones potential has been simulated by the method of computer molecular dynamics. Boundary migration was observed at various temperatures above a threshold, and was interpreted in terms of small steps involving coupled sliding and migration. In some cases, the simulation proceeded to the annihilation of a pair of boundaries within the attendant release of the boundary free energy and delocalization of the boundary free volume.

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Document Details

Document Type
Technical Report
Publication Date
Aug 01, 1982
Accession Number
ADA129653

Entities

People

  • George H. Bishop Jr.
  • Ralph J. Harrison
  • Sidney Yip
  • Thomas Kwok

Organizations

  • Massachusetts Institute of Technology

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Computer Simulations
  • Crystal Lattices
  • Crystal Structure
  • Crystals
  • Dynamics
  • Energy
  • Equations Of Motion
  • Grain Boundaries
  • High Temperature
  • Kinetic Energy
  • Materials
  • Molecular Dynamics
  • New York
  • Pattern Recognition
  • Potential Energy
  • Simulations
  • Two Dimensional

Fields of Study

  • Physics

Readers

  • Fluid Mechanics and Fluid Dynamics.
  • Materials Science (Mechanical Engineering).
  • Quantum Chemistry