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