Accession Number : ADA184318

Title :   Dynamics of Atoms in Low-Symmetry Systems.

Descriptive Note : Technical rept.,

Corporate Author : CORNELL UNIV ITHACA NY LAB OF ATOMIC AND SOLID STATE PHYSICS

Personal Author(s) : Nieminen,R M

PDF Url : ADA184318

Report Date : Jul 1987

Pagination or Media Count : 29

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.

Descriptors :   *SOLID STATE PHYSICS, *ANNEALING, *COMPUTERIZED SIMULATION, SYMMETRY, MOLECULAR STATES, ELECTRON DENSITY, HAMILTONIAN FUNCTIONS

Subject Categories : Solid State Physics
      Metallurgy and Metallography

Distribution Statement : APPROVED FOR PUBLIC RELEASE