Effect of the Vibrational Modes on the Ag-Cu Phase Diagram
DUAN Su-Qing1, ZHAO Xian-Geng1, LIU Shao-Jun2, MA Ben-Kun2
1Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing I00088
2Department of Physics, Beijing Normal University, Beijing 100875
Effect of the Vibrational Modes on the Ag-Cu Phase Diagram
1Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing I00088
2Department of Physics, Beijing Normal University, Beijing 100875
Abstract： We calculated the vibrational free energies of the selected ordered compounds in the Ag-Cu system by using two kinds of methods: (1) calculating the phonon dispersion and density of states and the consequently vibrational free energies by using the method of ab initio inverted interatomic potentials and dynamic matrix; (2) the vibrational free energies determined by a Debye-Griineisen approximation. The Ag-Cu phase diagram is calculated by the cluster variation method. The results show that the solubility at Ag-rich end of the calculated phase diagram considering vibrational modes by using the first method is in better agreement with the experimental.
DUAN Su-Qing;ZHAO Xian-Geng;LIU Shao-Jun;MA Ben-Kun. Effect of the Vibrational Modes on the Ag-Cu Phase Diagram[J]. 中国物理快报, 2000, 17(7): 522-524.
DUAN Su-Qing, ZHAO Xian-Geng, LIU Shao-Jun, MA Ben-Kun. Effect of the Vibrational Modes on the Ag-Cu Phase Diagram. Chin. Phys. Lett., 2000, 17(7): 522-524.
2000, Vol. 17 
