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

Abstract

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}

Authors:
 [1]
  1. Sandia National Laboratories, Livermore, California 94551-0969 (United States)
Publication Date:
OSTI Identifier:
686570
Resource Type:
Journal Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 83; Journal Issue: 13; Other Information: PBD: Sep 1999
Country of Publication:
United States
Language:
English
Subject:
66 PHYSICS; METALS; FCC LATTICES; LENNARD-JONES POTENTIAL; MANY-BODY PROBLEM; ELASTICITY; CRYSTAL DEFECTS; GROUND STATES; MELTING POINTS; PHASE TRANSFORMATIONS

Citation Formats

Baskes, M.I. Many-Body Effects in fcc Metals: A Lennard-Jones Embedded-Atom Potential. United States: N. p., 1999. Web. doi:10.1103/PhysRevLett.83.2592.
Baskes, M.I. Many-Body Effects in fcc Metals: A Lennard-Jones Embedded-Atom Potential. United States. doi:10.1103/PhysRevLett.83.2592.
Baskes, M.I. Wed . "Many-Body Effects in fcc Metals: A Lennard-Jones Embedded-Atom Potential". United States. doi:10.1103/PhysRevLett.83.2592.
@article{osti_686570,
title = {Many-Body Effects in fcc Metals: A Lennard-Jones Embedded-Atom Potential},
author = {Baskes, M.I.},
abstractNote = {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}},
doi = {10.1103/PhysRevLett.83.2592},
journal = {Physical Review Letters},
number = 13,
volume = 83,
place = {United States},
year = {1999},
month = {9}
}