An analytic MEAM model for all BCC transition metals

Authors
Zhang, BW Ouyang, YF Liao, SZ Jin, ZP
Citation
Bw. Zhang et al., An analytic MEAM model for all BCC transition metals, PHYSICA B, 262(3-4), 1999, pp. 218-225
Citations number
36
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICA B
ISSN journal
09214526 → ACNP
Volume
262
Issue
3-4
Year of publication
1999
Pages
218 - 225
Database
ISI
SICI code
0921-4526(19990401)262:3-4<218:AAMMFA>2.0.ZU;2-6
Abstract
A new pair potential is proposed, and a new analytic MEAM is developed by a dding a modification term to total energy with the pair potential. The mode l can reproduce the shear moduli of all BCC transition metals accurately, e specially the negative Cauchy pressure for the metal Cr. The mono- and di-v scancy formation and migration energies for all BCC transition metals are c alculated with the model. The calculations are in agreement with the availa ble experimental data. (C) 1999 Elsevier Science B.V. All rights reserved.