RELATIONSHIP OF LENNARD-JONES POTENTIAL AND MORSE POTENTIAL WITH Wx(r) POTENTIAL
来源期刊:中国有色金属学报(英文版)1994年第3期
论文作者:Xie Youqing
文章页码:63 - 66
Key words:potential function ;cohesive energy ;thermal expansion ;elastic modulus
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.