Computer simulation of extended defects in metals

Published: 1 January 1971| Version 1 | DOI: 10.17632/8cjytn64r4.1
R.E. Dahl, J.R. Beeler, R.D. Bourquin


Title of program: GRAINS Catalogue Id: ACQY_v1_0 Nature of problem The program is designed to determine the atomistic structure of extended defects in crystals with cubic structure, and their interactions with point defects. The extended defects which can be studied are grain boundaries, twin boundaries, free surfaces, cracks and dislocations. In addition, elementary aspects of grain boundary sliding can be studied. Versions of this program held in the CPC repository in Mendeley Data ACQY_v1_0; GRAINS; 10.1016/0010-4655(71)90023-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Surface Science, Condensed Matter Physics, Computational Physics