Properties of liquid nickel: A critical comparison of EAM and MEAM calculations

F. J. Cherne, M. I. Baskes, Pierre A Deymier

Research output: Contribution to journalArticle

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Abstract

In this paper, we compare a variety of properties of liquid nickel calculated with two different embedded atom model functions [J. Cai and Y. Y. Ye, Phys. Rev. B 54, 8398 (1996); M. I. Baskes, J. I. Angelo, and N. R. Moody, in Hydrogen Effects on Material Behavior, edited by N. R. Moody and A. W. Thomson (The Minerals, Metals, and Materials Society, Warrendale, PA, 1995)] and four variations of the modified embedded atom (MEAM) model [M. I. Baskes, Mater. Chem. Phys. 50, 152 (1997)]. We report calculated values of the melting point and structure factors for each of the representative potentials. We calculate via equilibrium molecular dynamics the shear viscosity and self-diffusion coefficient. This study shows that the short-ranged MEAM potential can give a representative picture of liquid nickel.

Original languageEnglish (US)
Article number024209
Pages (from-to)242091-242099
Number of pages9
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume65
Issue number2
StatePublished - Jan 1 2002

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embedded atom method
Nickel
nickel
Atoms
Liquids
liquids
atoms
Shear viscosity
melting points
Minerals
Melting point
Molecular dynamics
Hydrogen
diffusion coefficient
Metals
minerals
viscosity
molecular dynamics
shear
hydrogen

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Properties of liquid nickel : A critical comparison of EAM and MEAM calculations. / Cherne, F. J.; Baskes, M. I.; Deymier, Pierre A.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 65, No. 2, 024209, 01.01.2002, p. 242091-242099.

Research output: Contribution to journalArticle

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