Theoretical Analysis of Lattice Parameter Effect on Order-Disorder Transformation Based on Pair Potential |
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| Affiliation: | 1. State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083, China;2. State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083, China;Applied Science School, University of Science and Technology Beijing, Beijing 100083, China |
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| Abstract: | Based on pair potential, the Bragg Williams (B-W) model is modified to take into account the effect of the lattice parameter on theoretical order-disorder transformation analysis. The main purpose of this work is to understand the basic aspects of this effect and related reasonable model on order-disorder transformation. In the present approach, the configuration free energy is chosen as function of the lattice parameter and the long-range order. This energy is calculated through Taylor's expansion, starting from the disordered state. It was found that the configuration free energy has been strongly modified when the lattice parameter is taken into account. It was also found only one type of order-disorder transformation exists in AB alloy and three kinds of order-disorder transformations for non-equiatomic alloy system such as A3B alloy. This result is in agreement with experiments. |
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| Keywords: | order-disorder transformation computer simulation pair potential phase transformation |
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