CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 2002, Vol. 19 ›› Issue (5): 431-434.
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DENG Hui-qiu, HU Wang-yu, SHU Xiao-lin, ZHAO Li-hua, ZHANG Bang-wei
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Abstract: An analytic modified embedded-atom model is presented.Using the model,the thermodynamic data,such as the dilute-limit heats of solution,formation enthalpies of disordered solid solutions,surface energies and surface segregation energies for Pd-Au alloy,are calculated.The results are in agreement with the experimental data and calculated data using ab initio theory.
Key words: embedded-atom method, dilute-limit heats of solution, formation enthalpies, surface energy and surface segregation energy
CLC Number:
TG111.3
DENG Hui-qiu, HU Wang-yu, SHU Xiao-lin, ZHAO Li-hua, ZHANG Bang-wei. CALCULATING THE THERMODYNAMIC PROPERTIES OF Pd-Au ALLOYS WITH AN ANALYTIC EMBEDDED-ATOM METHOD[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2002, 19(5): 431-434.
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http://www.cjcp.org.cn/EN/Y2002/V19/I5/431