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Monte Carlo simulation of B2-L21 ordering transitions in Au-Cu-Al alloy systems

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  • Department of Materials Science and Engineering, Shanghai Jiaotong University, Shanghai 200240, China; Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China

Online published: 2025-06-27

Abstract

The B2-L21 ordering transitions in Au-Cu-Al shape-memory alloys are studied by the Monte Carlo exchange simulations, where a set of the first, the second and the third nearest-neighbor mixing potentials for Cu-Al in the Au-Cu-Al alloys are calculated from first principals using the Connolly-Williams methods. To ensure the phase stability of the β-Au-Cu-Al, the investigation includes the range of compositions Au2Cu1-x Al1+x (-0.15 ≤ x ≤ 0.15). The B2-L21 transition temperatures are predicted, and are in agreement with the experimental results. The atomic ordering around vacancy of the L21 structure is further discussed. © 2011 Shanghai Jiaotong University and Springer-Verlag Berlin Heidelberg.

Cite this article

Ding H.; Xu B.; Ni C.; Wang J.-Y.; Jin X.-J. . Monte Carlo simulation of B2-L21 ordering transitions in Au-Cu-Al alloy systems[J]. Journal of Shanghai Jiaotong University(Science), 2011 , 16(2) : 186 -189 . DOI: 10.1007/s12204-011-1115-6

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