EAM APPROACH TO ENTHALPY OF FORMATION OF ALKALI METAL ALLOYS

EAM APPROACH TO ENTHALPY OF FORMATION OF ALKALI METAL ALLOYS

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 enables the EAM model to describe the negative...

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Veröffentlicht in:Transactions of Nonferrous Metals Society of China 1996-12, Vol.6 (4), p.52-56
Hauptverfasser: Zhang, B, Ouyang, Y, Liao, S, Jin, Z
Format: Artikel
Sprache:eng
Schlagworte:
alkali
alloys
approach
EAM
enthalpy
formation
metal
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Zusammenfassung: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 enables the EAM model to describe the negative Cauchy pressure of alkali metal cesium is introduced. The results agree well with the experiments and with other theoretical calculations.
ISSN:1003-6326