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

Journal Article · Wed Sep 01 04:00:00 EDT 1999 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.83.2592· OSTI ID:686570

Baskes, M I ^[1]

---

1. Sandia National Laboratories, Livermore, California 94551-0969 (United States)

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. {copyright} {ital 1999} {ital The American Physical Society}

• OSTI ID: 686570
• Journal Information: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 13 Vol. 83; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
CRYSTAL DEFECTS
ELASTICITY
FCC LATTICES
GROUND STATES
LENNARD-JONES POTENTIAL
MANY-BODY PROBLEM
MELTING POINTS
METALS
PHASE TRANSFORMATIONS