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董卫平,王琳琳,王晓明,张明义,陈铮.镍基高温合金中γ/θ相界面性能的数值模拟[J].稀有金属材料与工程(英文),2019,48(5):1529~1533.[dongweiping,Wang Linlin,Wang Xiaoming,Zhang Mingyi and Chen Zheng.Numerical simulation of interface properties of γ/θ interface in Ni Base Superalloy[J].Rare Metal Materials and Engineering,2019,48(5):1529~1533.]
Numerical simulation of interface properties of γ/θ interface in Ni Base Superalloy
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Received:January 02, 2018  Revised:January 12, 2018
DOI:
Key words: Interface  Interfacial energy  Work of separation  Interfacial migration  Nickel base superalloy
Foundation item:国家自然科学基金资助(项目号51501165);浙江省自然科学基金一般项目(LY18E010002和LY17E010002)
Author NameAffiliation
dongweiping,Wang Linlin,Wang Xiaoming,Zhang Mingyi and Chen Zheng  
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Abstract:
      By using molecular dynamics method with the second nearest neighbor modified embedded-atom method (2NN MEAM) interatomic potential, we studied the γ/θ-DO22 interfacial structure of Ni-Al-V superalloy at different compositions, and calculated the interfacial energy and the work of separation on the interfaces. The research shows that with the Al atom concentration increases, the interfacial energy can increase while the work of separation can reduce; with the concentration of V atoms increases, the interfacial energy increases first and then decreases; but the change of atomic concentration has little effect at the work of separation; and the interfacial energy and the work of separation are closely related to the interfacial migration. It has great guiding significance to the alloy design that the results can be used to further study the dynamic behavior of Ni-Al-V superalloys in the process of precipitation, such as the composition segregation and interfacial migration.