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Calculation Model of Effective Interchange Interaction Potential of DO22 Phase Based on Microscopic Phase-Field
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    Abstract:

    Based on the microscopic phase-field theory, the calculation model of the first nearest neighbor effective interchange interaction potential (w1) for DO22 phase was deduced according to the formula for the relation of occupation probability and free energy by Khachaturyan. The temperature of phase transition and atomic concentration were required in this model. Then the first nearest neighbor effective interchange interaction potentials of Ni3V-DO22 phase were obtained. The inversion calculation of Ni3V-DO22 indicates that with the temperature or atomic concentration increasing, w1 increases. If the w1 changed with temperature and atomic concentration is put into microscopic phase-field equation, the dependence on temperature and atomic concentration is more obvious for the structure of the atomic temporal evolution.

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[Dong Weiping, Chen Zheng, Wang Yongxin, Xu Cong, Lu Yanli. Calculation Model of Effective Interchange Interaction Potential of DO22 Phase Based on Microscopic Phase-Field[J]. Rare Metal Materials and Engineering,2010,39(11):1970~1973.]
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History
  • Received:November 25,2009
  • Revised:August 15,2010
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