Transactions of Nonferrous Metals Society of China The Chinese Journal of Nonferrous Metals

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中國(guó)有色金屬學(xué)報(bào)(英文版)

Transactions of Nonferrous Metals Society of China

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 1004-0609
CN 43-1238/TG
CODEN: ZYJXFK

ISSN 1003-6326
CN 43-1239/TG
CODEN: TNMCEW

主管:中國(guó)科學(xué)技術(shù)協(xié)會(huì) 主辦:中國(guó)有色金屬學(xué)會(huì) 承辦:中南大學(xué)
湘ICP備09001153號(hào) 版權(quán)所有:《中國(guó)有色金屬學(xué)報(bào)》編輯部
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