中国有色金属学报(英文版)
Transactions of Nonferrous Metals Society of China
Vol. 4 No. 3 September 1994 |
(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