Hostname: page-component-78c5997874-j824f Total loading time: 0 Render date: 2024-11-06T09:52:03.075Z Has data issue: false hasContentIssue false

Free Energy Calculations of Cu-Sn Interfaces

Published online by Cambridge University Press:  21 February 2011

R. Ravelo
Affiliation:
Department of Physics and Material Research Institute, University of Texas, El Paso, TX 79968
M. Baskes
Affiliation:
Materials Reliability Department, Sandia National Laboratories, Livermore, CA94551-0969
Get access

Abstract

Excess free energies of solid Cu - Solid Sn and Solid Cu - liquid Sn have been calculated employing an adiabatic switching formalism in a Molecular Dynamics (MD) framework. The atomic interactions are described by modified embedded atom method (MEAM) potentials which includes the angular dependence of the electron density to describe bond bending forces necessary to model covalent materials.

Type
Research Article
Copyright
Copyright © Materials Research Society 1998

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1 Duga, J.J., DCIC Report 69–2, June 1969.Google Scholar
2 Åstrom, H.V., Acta Met. 4, 562 (1956).Google Scholar
3 Stowell, M.J., Phil. Mag. 22, 1 (1970).Google Scholar
4 Miyazaki, J., Barker, J.A. and Pound, G.M., J. Chem. Phys. 64, 3364 (1976).Google Scholar
5 Broughton, J.Q. and Gilmer, G.H., J. Chem. Phys. 84, 5759 (1986).Google Scholar
6 Agrawal, R. and Kofke, D.A., Mol. Phys. 85, 23 (1995).Google Scholar
7 Kirkwood, J.G., J. Chem. Phys. 3, 300 (1935).Google Scholar
8 Watanabe, M. and Reinhardt, W.P., Phys. Rev. Lettters 65, 3301 (1990).Google Scholar
9 Baskes, M. I., Phys. Rev. B 46 2727 (1992) and references therein.Google Scholar
10 Baskes, M. I. and Johnson, R. A., Modelling Simul. Mater. Sci. Eng. 2, 147 (1994).Google Scholar
11 Ravelo, R. and Baskes, M., Bull. Amer. Phys. Soc. 40, C25–3 (1995).Google Scholar
12 Baskes, M. I., Angelo, J. E., and Bisson, C. L., Modelling Simul. Mater. Sci. Eng. 2, 505 (1994).Google Scholar
13 Staudhammer, K.P. and Murr, L.E., Atlas of Binary Alloys: A periodic Index. (Marcel Decker, New York 1976).Google Scholar
14 Smithells Metals Reference Book. 6th ed., edited by Brandes, E. A. (Butterworths, London 1983.Google Scholar