Calculation of Al-Zn diagram from central atoms model
(1. Department of Materials Science and Engineering,Guangdong University of Technology, Guangzhou 510090, P.R.China;
2. Department of Materials Science and Engineering,Tsinghua University, Beijing100084, P.R.China)
2. Department of Materials Science and Engineering,Tsinghua University, Beijing100084, P.R.China)
Abstract: A slightly modified central atoms model was proposed. The probabilities of various clusters with the central atoms and their nearest neighboring shells can be calculated neglecting the assumption of the parameter of energy in the central atoms model in proportion to the number of other atomsi(referred with the central atom). A parameter Pα is proposed in this model, which equals to reciprocal of activity coefficient ofα component, therefore, the new model can be understood easily. By this model, the Al-Zn phase diagram and its thermodynamic properties were calculated, the results coincide with the experimental data.
Key words: central atoms model; diagram calculation; Al-Zn