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CALCULATING THE THERMODYNAMIC PROPERTIES OF Pd-Au ALLOYS WITH AN ANALYTIC EMBEDDED-ATOM METHOD
DENG Hui-qiu, HU Wang-yu, SHU Xiao-lin, ZHAO Li-hua, ZHANG Bang-wei
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS
2002, 19 (5):
431-434.
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.
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