Elastic constants of polycrystalline Al and TiN calculated by an ab initiomethod within the local-density approximation

Citation
M. Zhang et al., Elastic constants of polycrystalline Al and TiN calculated by an ab initiomethod within the local-density approximation, J MATER RES, 16(8), 2001, pp. 2293-2297
Citations number
13
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science","Material Science & Engineering
Journal title
JOURNAL OF MATERIALS RESEARCH
ISSN journal
08842914 → ACNP
Volume
16
Issue
8
Year of publication
2001
Pages
2293 - 2297
Database
ISI
SICI code
0884-2914(200108)16:8<2293:ECOPAA>2.0.ZU;2-X
Abstract
The three single-crystal elastic constants of the cubic materials Al and Ti N were calculated by an ab initio method within the local-density approxima tion of density-functional theory. The values were compared with experiment and averaged by the Kroner method to give polycrystalline results. The res ults agree well with experiment.