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论文类型：期刊论文

发表时间：2013-03-10

发表刊物：MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING

收录刊物：SCIE、EI

卷号：565

页面范围：317-320

ISSN号：0921-5093

关键字：First principle; Density functional theory; Ni3Al; APB; Yield stress anomaly

摘要：This paper studies the impact of 5d transition metals Re and Pt on yield stress anomaly of Ni3Al-based alloys by evaluating the anisotropy ratio for the APB energies using first principles calculations. The completely relaxed {111} and {100}) APB energies of the Ni3Al-based alloys are calculated. It is found that alloying element Re prefers to occupy the Al site, but Pt prefers to occupy the Ni site. Both Pt and Re can increase {111} and {100} APB energies of the Ni3Al-based alloys. It is found that only when the coverage of alloying element Re or Pt in the slip plane of APBs is less than a certain critical value the anisotropy ratio for the APB energies of the corresponding alloy can meet the cross-slip condition within the Paidar-Pope-Vitek model and the yield stress anomaly can occur. The paper gives an approach which can calculate the antiphase boundary energy of the multi-component alloys. These results can provide a good reference to selection, preparation and application of the Ni3Al intermetallics. (C) 2012 Elsevier B.V. All rights reserved.