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Variable-charge interatomic potentials for molecular-dynamics simulations of TiO...

Authors :
Ogata, Shuji
Iyetomi, Hiroshi
Source :
Journal of Applied Physics. 9/15/1999, Vol. 86 Issue 6, p3036. 6p. 2 Black and White Photographs, 3 Charts, 1 Graph.
Publication Year :
1999

Abstract

Presents information on a study which focused on an interatomic potential model for molecular-dynamic simulations of titanium dioxide atoms. Information on a variable-charge interatomic potential for bulk rutile titanium dioxide; Comparison of various quantities with experimental data; Discussion of results.

Details

Language :
English
ISSN :
00218979
Volume :
86
Issue :
6
Database :
Academic Search Index
Journal :
Journal of Applied Physics
Publication Type :
Academic Journal
Accession number :
2293462
Full Text :
https://doi.org/10.1063/1.371165