Properties of liquid nickel: A critical comparison of EAM and MEAM calculations
- 19 December 2001
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 65 (2), 024209
- https://doi.org/10.1103/physrevb.65.024209
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.Keywords
This publication has 38 references indexed in Scilit:
- Embedded atom model calculations of the diffusion coefficient of Ni impurity in liquid AlThe Journal of Chemical Physics, 1999
- Molecular-dynamics study of the dynamic properties of fcc transition and simple metals in the liquid phase using the second-moment approximation to the tight-binding methodPhysical Review B, 1999
- Calculation of viscosity of liquid nickel by molecular dynamics methodsScripta Materialia, 1998
- Transport coefficients of liquid transition metals: A computer simulation study using the embedded atom modelThe Journal of Chemical Physics, 1998
- A molecular dynamics study of the thermodynamic properties of liquid Ni using the Voter and Chen version of the embedded atom modelThe Journal of Chemical Physics, 1998
- Computer simulation study of the dynamic properties of liquid Ni using the embedded-atom modelPhysical Review B, 1998
- Structure and thermodynamic properties of liquid rare earth metals: an embedded atom method approachJournal of Non-Crystalline Solids, 1998
- Structure and thermodynamic properties of liquid transition metals: An embedded-atom-method approachPhysical Review B, 1996
- Molecular-dynamics study of self-diffusion in liquid transition metalsPhysical Review B, 1990
- Application of the embedded-atom method to liquid transition metalsPhysical Review B, 1985