J Mater Sci Technol ›› 1996, Vol. 12 ›› Issue (6): 473-475.

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Choice of Parameters in Morse Potential for Copper

Yuming WANG (Dept. of Materials Science, Jilin University Changchun 130023, China)   

  • Received:1996-11-28 Revised:1996-11-28 Online:1996-11-28 Published:2009-10-10

Abstract: The choice of parameters in Morse potential for copper was made by the molecular dynamics modeling. The elastic coefficients C11, C44, their temperature coefficients TC11, TC44, as well as the hydrostatic compression behaviour, i.e. pressure/volum curvs have been calculated. The choice of Morse poteotial parameters can be made by comparing the results with the experimental data. The chosen parameters are greatly different for different simulated properties.