The ternary Ni–Al–Co embedded-atom-method potential for γ/γ’ Ni-based single-crystal superalloys：Construction and application

doi:10.1088/1674-1056/23/3/033401

中国物理B ›› 2014, Vol. 23 ›› Issue (3): 33401-033401.doi: 10.1088/1674-1056/23/3/033401

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

The ternary Ni–Al–Co embedded-atom-method potential for γ/γ’ Ni-based single-crystal superalloys：Construction and application

杜俊平^a, 王崇愚^{a b c}, 于涛^a

a Central Iron and Steel Research Institute, Beijing 100081, China;
b Department of Physics, Tsinghua University, Beijing 100084, China;
c The International Center for Materials Physics, Chinese Academy of Sciences, Shenyang 110016, China

收稿日期:2013-07-31 修回日期:2013-09-23 出版日期:2014-03-15 发布日期:2014-03-15
基金资助:
Project supported by the National Basic Research Program of China (Grant No. 2011CB606402) and the National Natural Science Foundation of China (Grant No. 51071091).

The ternary Ni–Al–Co embedded-atom-method potential for γ/γ’ Ni-based single-crystal superalloys：Construction and application

Du Jun-Ping (杜俊平)^a, Wang Chong-Yu (王崇愚)^{a b c}, Yu Tao (于涛)^a

a Central Iron and Steel Research Institute, Beijing 100081, China;
b Department of Physics, Tsinghua University, Beijing 100084, China;
c The International Center for Materials Physics, Chinese Academy of Sciences, Shenyang 110016, China

Received:2013-07-31 Revised:2013-09-23 Online:2014-03-15 Published:2014-03-15
Contact: Wang Chong-Yu E-mail:cywang@mail.tsinghua.edu.cn
Supported by:
Project supported by the National Basic Research Program of China (Grant No. 2011CB606402) and the National Natural Science Foundation of China (Grant No. 51071091).

摘要/Abstract

摘要： An Ni–Al–Co system embedded-atom-method potential is constructed for the γ(Ni)/γ’(Ni₃Al) superalloy based on experiments and first-principles calculations. The stacking fault energies (SFEs) of the Ni(Co, Al) random solid solutions are calculated as a function of the concentrations of Co and Al. The calculated SFEs decrease with increasing concentrations of Co and Al, which is consistent with the experimental results. The embedding energy term in the present potential has an important influence on the SFEs of the random solid solutions. The cross-slip processes of a screw dislocation in homogenous Ni(Co) solid solutions are simulated using the present potential and the nudged elastic band method. The cross-slip activation energies increase with increasing Co concentration, which implies that the creep resistance of γ (Ni) may be improved by the addition of Co.

关键词: interatomic interaction potential, embedded-atom method, Ni-based single-crystal superalloys

Abstract: An Ni–Al–Co system embedded-atom-method potential is constructed for the γ(Ni)/γ’(Ni₃Al) superalloy based on experiments and first-principles calculations. The stacking fault energies (SFEs) of the Ni(Co, Al) random solid solutions are calculated as a function of the concentrations of Co and Al. The calculated SFEs decrease with increasing concentrations of Co and Al, which is consistent with the experimental results. The embedding energy term in the present potential has an important influence on the SFEs of the random solid solutions. The cross-slip processes of a screw dislocation in homogenous Ni(Co) solid solutions are simulated using the present potential and the nudged elastic band method. The cross-slip activation energies increase with increasing Co concentration, which implies that the creep resistance of γ (Ni) may be improved by the addition of Co.

Key words: interatomic interaction potential, embedded-atom method, Ni-based single-crystal superalloys

中图分类号: (Interatomic potentials and forces)

34.20.Cf

61.72.Nn (Stacking faults and other planar or extended defects)

杜俊平, 王崇愚, 于涛. The ternary Ni–Al–Co embedded-atom-method potential for γ/γ’ Ni-based single-crystal superalloys：Construction and application[J]. 中国物理B, 2014, 23(3): 33401-033401.

Du Jun-Ping (杜俊平), Wang Chong-Yu (王崇愚), Yu Tao (于涛). The ternary Ni–Al–Co embedded-atom-method potential for γ/γ’ Ni-based single-crystal superalloys：Construction and application[J]. Chin. Phys. B, 2014, 23(3): 33401-033401.

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The ternary Ni–Al–Co embedded-atom-method potential for γ/γ’ Ni-based single-crystal superalloys：Construction and application

The ternary Ni–Al–Co embedded-atom-method potential for γ/γ’ Ni-based single-crystal superalloys：Construction and application

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