Embedded atom method for theoretical strength and stability of some fcc metals

Citation
Yo. Ciftci et K. Colakoglu, Embedded atom method for theoretical strength and stability of some fcc metals, ACT PHY P A, 100(4), 2001, pp. 539-552
Citations number
55
Categorie Soggetti
Physics
Journal title
ACTA PHYSICA POLONICA A
ISSN journal
05874246 → ACNP
Volume
100
Issue
4
Year of publication
2001
Pages
539 - 552
Database
ISI
SICI code
0587-4246(200110)100:4<539:EAMFTS>2.0.ZU;2-X
Abstract
The structural phase transformation and theoretical strength of fcc metals Ni, Cu, Ag, Al, An, and Pt under [100] uniaxial loading are studied by usin g analytical embedded-atom-potential method. In the present calculations th e stress-free bcc phase is found unstable and fec phase is found to be stab le. The obtained energy differences of fcc-bcc phases are comparable with t hose found by the first-principles calculations and experiments for all met als considered. The present pair potential in the embedded-atom method is u sed for the first time for this purpose. Theoretical lattice parameters, vo lumes, and energies of the bcc and fee structures for each metal at zero pr essure are calculated and compared with the available experimental values. Third-order elastic constants and pressure-volume curves for studied metals are also investigated and found generally good agreement with experiments.