Molecular dynamics studies of solid and liquid copper using the Finnis-Sinclair many-body potential
- 5 February 1990
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 2 (5) , 1291-1300
- https://doi.org/10.1088/0953-8984/2/5/020
Abstract
Molecular dynamics studies of the temperature dependent properties of copper have been carried out. The constant pressure and constant temperature (NPT) MD method has been used together with the Finnis-Sinclair many-body potential. On the basis only of the room temperature properties the behaviour of solid and liquid copper over wide temperature range have been simulated and compared with experiment.Keywords
This publication has 24 references indexed in Scilit:
- Simulation of gold in the glue modelPhilosophical Magazine A, 1988
- Interatomic forces in relation to the theory of dislocationsPhilosophical Magazine A, 1988
- Molecular dynamics and defects in metals in relation to interatomic force lawsPhilosophical Magazine A, 1988
- Interatomic forces in transition metalsPhilosophical Magazine A, 1988
- SimpleN-body potentials for the noble metals and nickelPhilosophical Magazine A, 1987
- A computer simulation study of the melting and freezing properties of a system of Lennard-Jones particlesMolecular Physics, 1987
- A computer simulation study of the melting and freezing properties of a system of Lennard-Jones particlesMolecular Physics, 1987
- Phase diagrams of simple metals from molecular dynamicsJournal of Physics F: Metal Physics, 1986
- Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metalsPhysical Review B, 1984
- Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones MoleculesPhysical Review B, 1967