Work

Tight-binding study of stacking fault energies and the Rice criterion of ductility in the fcc metals

Year: 2000

Type: article

Abstract: We have used the Naval Research Laboratory (NRL) tight-binding (TB) method to calculate the generalized stacking fault energy and the Rice ductility criterion in the fcc metals Al, Cu, Rh, Pd, Ag, Ir, Pt, Au, and Pb. The method works well for all classes of metals, i.e., simple metals, noble metals, and transition metals. We compared our results with full potential linear-muffin-tin orbital and embedded atom method (EAM) calculations, as well as experiment, and found good agreement. This is impressive, since the NRL-TB approach only fits to first-principles full-potential linearized augmented plane-wave equations of state and band structures for cubic systems. Comparable accuracy with EAM potentials can be achieved only by fitting to the stacking fault energy.

Source: Physical review. B, Condensed matter

DOI: 10.1103/physrevb.61.4894

Authors: Michael J. Mehl, Dimitrios A. Papaconstantopoulos, Nicholas Kioussis, M. Herbranson

Institutions: United States Naval Research Laboratory, California State University, Northridge

Language: English

Topic: Microstructure and mechanical properties

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funder: Office of Naval Research

OpenAlex ID: W1989167405

FWCI: 2.537

Cites: 24

Cited by: 92

Related to: 10