A MODEL BCC IRON INCLUDING ANGULAR INTERACTIONS - THE SELF-INTERSTITIAL

Authors
SIMONELLI G PASIANOT R SAVINO EJ
Citation
G. Simonelli et al., A MODEL BCC IRON INCLUDING ANGULAR INTERACTIONS - THE SELF-INTERSTITIAL, Physica status solidi. b, Basic research, 191(2), 1995, pp. 249-266
Citations number
36
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physica status solidi. b, Basic research → ACNP
ISSN journal
03701972
Volume
191
Issue
2
Year of publication
1995
Pages
249 - 266
Database
ISI
SICI code
0370-1972(1995)191:2<249:AMBIIA>2.0.ZU;2-B
Abstract
Self-interstitial configurations in Fe are simulated using an embedded -atom-method (EAM) interatomic potential and an embedded-defect (ED) o ne recently developed by the authors. The latter potential includes an gular-dependent many-body local terms. Formation energy and lattice di stortion for the [110] and [111] oriented dumbbells are calculated. Th e relative contributions of the pair and many-body interaction terms t o these properties are discussed. Comparisons with other many-body pot entials from the literature are made.