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铁道科学与工程学报

JOURNAL OF RAILWAY SCIENCE AND ENGINEERING

Vol. 6    No. 4    December 1996

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EAM  APPROACH TO ENTHALPY OF FORMATION OF ALKALI METAL ALLOYS
Zhang Bangwei1, 2, Ouyang Yifang2, 3, Liao Shuzhi4, Jin Zhanpeng3

1.International Centre for Materials Physics, Shenyang110015
2.Department ofPhysics, Hunan University, Changsha 410082
3.Department of Materials Science and Engineering,Central South University of Technology, Changsha 410083
4.Department of Chemistry and Chemical Engineering,Hunan University, Changsha 410082

Abstract:A new embedded atom method(EAM) potential is used to calculate the enthalpy of formation of disordered alkali metal alkali metal alloys as a function of the concentration. In the new EAM model, a new pair potential is proposed and a modified term which makes the EAM model be able to describe the negative Cauchy pressure of alkali metal cesium is introduced. The results agree well with the experiments and with other theoretical calculations.

 

Key words: EAM approach enthalpy of formation alkali metal alloys

ISSN 1672-7029
CN 43-1423/U

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