CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 2002, Vol. 19 ›› Issue (5): 431-434.

Previous Articles     Next Articles

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   

  1. Department of Applied Physics, Hunan University, Changsha 410082, China
  • Received:2001-01-21 Revised:2001-05-14 Online:2002-09-25 Published:2002-09-25

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: