Accession Number : AD0487742
Title : COMPUTER EXPERIMENTS ON VACANCY INTERACTIONS IN GOLD.
Descriptive Note : Summary technical rept. Jun 65-Jun 66,
Corporate Author : GENERAL ELECTRIC CO CINCINNATI OH NUCLEAR MATERIALS AND PROPULSION OPERATION
Personal Author(s) : Beeler, J. R., Jr
Report Date : JUN 1966
Pagination or Media Count : 13
Abstract : An attempt was made to construct a pairwise, central force interatomic potential for gold which would give the monovacancy migration energy E sub m (v1), the divacancy binding energy E sub B (v2) and the elastic constants for the perfect crystal. It was possible to construct a potential which gives values for E sub M (v1) and E sub B (v2) that are uniformly about 20 percent less than those desired. A computer program (DEFECT) was written to compute vacancy interactions and vacancy-impurity atom interactions in cubic metals. During the course of testing the characteristics of several different potentials it was found that the variational method for defect configuration calculations will not necessarily converge for an arbitrary interatomic potential. (Author)
Descriptors : *GOLD), (*CRYSTAL DEFECTS, (*COMPUTER PROGRAMMING, CRYSTAL DEFECTS), TEST METHODS, MATHEMATICAL ANALYSIS, IMPURITIES.
Subject Categories : Crystallography
Distribution Statement : APPROVED FOR PUBLIC RELEASE