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铁道科学与工程学报

JOURNAL OF RAILWAY SCIENCE AND ENGINEERING

Vol. 4    No. 3    September 1994

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RELATIONSHIP OF LENNARD-JONES POTENTIAL ANDMORSE POTENTIAL WITH Wx(r) POTENTIAL
Xie  Youqing

Departement of Materials Science and Engineeing ; Central South University of Technology ; Changsha 410083

Abstract:It was proved that Lennard-Jones potential can be transfered to Wx(r) potential according to relationship of their parameters estublished in this paper. The empirical Wx (r) potential has been developed into semi-empirical Wx (r) potential related to electronic structure of crystuls. Relation-ships of parameters between Morse potential and Wx (r) potential have been also obtained , but if Morse potential equals Wx (r) potential , the parameter am in Morse potential can not be constant. Comparing it with other two potentials , the Wx (r) potential is the most perfect.

 

Key words: potential function cohesive energy thermal expansion elastic modulus

ISSN 1672-7029
CN 43-1423/U

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