The effective-medium theory beyond the nearest-neighbour interaction
- 4 December 1989
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 1 (48), 9765-9777
- https://doi.org/10.1088/0953-8984/1/48/023
Abstract
The effective-medium theory has been extended to include more than the nearest neighbours in the total energy calculation of a metallic system. This extension has been tested by molecular dynamics simulations of thermal expansion and melting of copper. The calculated thermal expansion coefficient, melting point, latent heat of fusion and diffusion constant of the liquid phase are in good agreement with experimental data. In the liquid phase it is necessary to go beyond the nearest-neighbour interactions.Keywords
This publication has 27 references indexed in Scilit:
- SimpleN-body potentials for the noble metals and nickelPhilosophical Magazine A, 1987
- Reconstruction of fcc (110) surfacesSurface Science Letters, 1987
- Melting and nonmelting behavior of the Au(111) surfacePhysical Review B, 1987
- Monte Carlo calculation of the thermal expansion coefficient of AlPhysical Review B, 1987
- Molecular Dynamics Studies of Gold SurfacesPhysica Scripta, 1987
- Interatomic interactions in solids: An effective-medium approachPhysical Review B, 1986
- Semi-empirical calculation of solid surface tensions in body-centred cubic transition metalsPhilosophical Magazine A, 1986
- Atoms embedded in an electron gas: Immersion energiesPhysical Review B, 1981
- Effective-medium theory of chemical binding: Application to chemisorptionPhysical Review B, 1980
- The structure factor of liquid copper at 1393K and 1833KJournal of Physics F: Metal Physics, 1980