Microscopic Phase-Field Simulation for the Influence of Interatomic Potential on the Precipitation Process of Ni₇₅Al₁₄Mo₁₁ Alloy

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• 作者：Qing-Shuang Ma ; Yu-Chun Jin ; Yu-Hong Zhao…
• 关键词：Interatomic potential ; Phase transformation ; Microscopic phase ; field ; Occupation probability
• 刊名：Acta Metallurgica Sinica (English Letters)
• 出版年：2016
• 出版时间：October 2016
• 年：2016
• 卷：29
• 期：10
• 页码：975-984
• 全文大小：3,156 KB
• 刊物主题：Metallic Materials; Spectroscopy/Spectrometry; Organometallic Chemistry; Tribology, Corrosion and Coatings; Nanotechnology; Characterization and Evaluation of Materials;
• 出版者：Springer Berlin Heidelberg
• ISSN：2194-1289
• 卷排序：29

文摘

The process of γ′ phase precipitating from Ni₇₅Al₁₄Mo₁₁ is studied by a computational simulation technique based on microscopic phase-field kinetics model. We studied the phase transformation with the purpose of clarifying the influence of the nearest interatomic potential V_Ni–Al (the nearest interatomic potential) on the precipitation process of γ′ phase. The result demonstrates that there are two kinds of ordered phases, respective L1₀ and L1₂ in the early stage, and L1₀ phase transforms into L1₂ phase subsequently. For L1₂ phase, Ni atoms mainly occupy α site (face center positions), while Al and Mo atoms occupy β sites (the vertex positions). When V_Ni–Al is increased by 10 MeV, the occupation probability of Ni atoms on α sites and Al atoms on β sites are enhanced. Enhanced V_Ni–Al facilitates clustering and ordering of Al atom, which promotes the formation of the γ′ phase. At last, the simulation result was discussed by employing the thermodynamic stability.