Computer simulation of correlated self-diffusion via randomly migrating vacancies in cubic crystals

Published: 1 January 1977| Version 1 | DOI: 10.17632/3fmph5pybs.1
D. Wolf, K. Differt


Abstract Title of program: RANDOM VACANCY MIGRATION Catalog number: ACKO Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: CDC 6600; Installation: University of Stuttgart Operating system: Scope 3.4 Programming language used: FORTRAN IV High speed storage required: 58 000 words No. of bits in a word: 60 Overlay structure: none No. of magnetic tapes required: none Other peripherals used: card reader, line printer No of... Title of program: RANDOM VACANCY MIGRATION Catalogue Id: ACKO_v1_0 Nature of problem Computer simulation of the relative jumps of atoms induced by a randomly migrating single or double vacancy in a face-centered cubic, body-centered cubic, or simple cubic crystal lattice. ADAPTATION SUMMARY: Vol:Year:Page 13:1977:183 "0001 CORRELATION FACTOR AND NMR" "Determination of correlation factor and NMR diffusion parameters from the computer-simulated random motion of vacancies in cubic crystals." D. Wolf; K. Differt; H. Mehrer Note: adaptation instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACKO_v1_0; RANDOM VACANCY MIGRATION; 10.1016/0010-4655(77)90011-X 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