Dynamics of Atoms in Low-Symmetry Systems.

Abstract

Recent ideas to extend the scope and applicability of large-scale computer simulation of condensed phases are discussed. These include (i) the use of simulated annealing and related methods in first-principles calculations and (ii) the development effective-medium and similar approximate approaches to interatomic interactions in lo-symmetry situations. Examples of applications to molecular dynamics simulations are presented.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Jul 01, 1987
Accession Number
ADA184318

Entities

People

  • R. M. Nieminen

Organizations

  • Cornell Laboratory of Atomic and Solid State Physics

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Computational Science
  • Computer Simulations
  • Crystal Structure
  • Differential Equations
  • Electron Density
  • Electron Gas
  • Electrons
  • Equations
  • Equations Of Motion
  • Equations Of State
  • Geometry
  • Materials
  • Materials Science
  • Molecular Dynamics
  • Partial Differential Equations
  • Phase Transformations
  • Solid State Physics

Fields of Study

  • Physics

Readers

  • Computational Fluid Dynamics (CFD)
  • Materials Science and Engineering.