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Original Articles

Adaptation of the Finnis-Sinclair potentials for conditions of extension and for b.c.c. transition metal alloys

Pages 325-334 | Received 30 Dec 1988, Accepted 17 Jan 1989, Published online: 20 Aug 2006
 

Abstract

A modification of the Finnis-Sinclair potentials is introduced that substantially improves their performance in conditions of extension, yielding the correct anharmonicity around the equilibrium positions. With these modifications, the original potentials are readily extended to tackle transition-metal alloys and good agreement is obtained with experimental values of their bulk moduli.

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