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Phys. Rev. Lett. 83, 2592–2595 (1999)

Many-Body Effects in fcc Metals: A Lennard-Jones Embedded-Atom Potential

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M. I. Baskes*
Sandia National Laboratories, Livermore, California 94551-0969

Received 16 February 1999; published in the issue dated 27 September 1999

A simple analytic model that extends the Lennard-Jones potential into the many-body regime is proposed. The two parameter model draws on the embedded-atom method formalism. The model is used to calculate properties of an fcc material, e.g., elastic constants, Bain transformation, and defect properties, as a function of many-body parameters. It is shown that the ground state structure of the model includes all of the common phases. The melting point of an fcc material is shown to decrease significantly as the many-body interactions are increased.

© 1999 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.83.2592
DOI:
10.1103/PhysRevLett.83.2592
PACS:
61.50.Lt, 62.20.Dc, 64.70.Dv, 64.70.Kb

*Current address: Los Alamos National Laboratory, Los Alamos, NM 87545.