Atomic Interchange Potentials Calculation of Ni-Al-Cr Alloy Based on Microscopic Phase Field Method

Abstract:

The effects of increasing atomic interchange potentials to the precipitation process and microstructure of Ni-Al-Cr alloy have been simulated based on the microscopic phase field theory. The first nearest neighbour atomic interchange potentials of Ni-Al-Cr alloys for L1₂ and D0₂₂ phase was calculated out according to the formula which were referenced on the relation equation between atomic interchange potentials and long range order parameters by Khachaturyan. The results indicated that Ni-Al (W_Ni-Al) and Ni-Cr (W_Ni-Cr) s first nearest neighbor atomic interaction potentials will increase linearly while the temperatures rose. Moreover W_Ni-Al increased but W_Ni-Cr decreased roughly linearly if Al atoms concentration rose, and conversely inversed. In addition, these atomic interchange potentials changing with temperature and concentration were in good agreement with earlier study.

• Periodical: Materials Science Forum (Volumes 747-748)
• Pages: 739-746
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.747-748.739
• Online since: February 2013
• Authors: Wei Ping Dong, Zhang Jing, Zheng Chen
• Keywords: Atomic Interchange Potentials, First Nearest Neighbor, Microscopic Phase Field, Ni-Al-Cr Alloy

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