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Characterization of Interatomic Potentials by a Calculation of Defect Energy
Published online by Cambridge University Press: 10 February 2011
Abstract
Potential functions used in molecular dynamics simulations for metals are characterized through a calculation of the third-order elastic constants, the Gruneisen parameters, and the molecular dynamics simulation of point defects. The Lennard-Jones potential and the embedded atom method potentials for noble metals (Cu, Ag, Au) are characterized by using a common program code.
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- Research Article
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- Copyright © Materials Research Society 1998
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