EMBEDDED-ATOM MODELS OF 12 CUBIC METALS INCORPORATING 2ND-ORDER AND 3RD-ORDER ELASTIC-MODULI DATA

Authors
CHANTASIRIWAN S MILSTEIN F
Citation
S. Chantasiriwan et F. Milstein, EMBEDDED-ATOM MODELS OF 12 CUBIC METALS INCORPORATING 2ND-ORDER AND 3RD-ORDER ELASTIC-MODULI DATA, Physical review. B, Condensed matter, 58(10), 1998, pp. 5996-6005
Citations number
46
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physical review. B, Condensed matter → ACNP
ISSN journal
01631829
Volume
58
Issue
10
Year of publication
1998
Pages
5996 - 6005
Database
ISI
SICI code
0163-1829(1998)58:10<5996:EMO1CM>2.0.ZU;2-P
Abstract
An embeded-atom method (EAM) formulation that can reproduce identicall y the empirically determined second-order and third-order elastic modu li is employed in constructing the EAM models of 12 cubic metals (Ag, Al, Au, Cu, Fe, K, Li, Mo, Na, Nh, Ni, and Rb). The models yield phase stabilities, pressure-volume curves, and phonon-frequency spectra tha t are in generally good agreement with experiments.