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The ternary Ni-Al-Co embedded-atom-method potential for gamma/gamma ' Ni-based single-crystal superalloys: Construction and application
J. P. Du; C. Y. Wang; T. Yu
2014
Source PublicationChinese Physics B
ISSN1674-1056
Volume23Issue:3
AbstractAn Ni-Al-Co system embedded-atom-method potential is constructed for the gamma(Ni)/gamma' (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 gamma(Ni) may be improved by the addition of Co.
description.department[du jun-ping ; wang chong-yu ; yu tao] cent iron & steel res inst, beijing 100081, peoples r china. [wang chong-yu] tsinghua univ, dept phys, beijing 100084, peoples r china. [yu tao] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. ; wang, cy (reprint author), cent iron & steel res inst, beijing 100081, peoples r china. ; cywang@mail.tsinghua.edu.cn
KeywordInteratomic Interaction Potential Embedded-atom Method Ni-based Single-crystal Superalloys Misfit Dislocation Networks Point-defect Properties Minimum Energy Paths Elastic Band Method Molecular-dynamics Interatomic Potentials Saddle-points Gamma'-phase Hcp Metals Cobalt
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Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/72838
Collection中国科学院金属研究所
Recommended Citation
GB/T 7714
J. P. Du,C. Y. Wang,T. Yu. The ternary Ni-Al-Co embedded-atom-method potential for gamma/gamma ' Ni-based single-crystal superalloys: Construction and application[J]. Chinese Physics B,2014,23(3).
APA J. P. Du,C. Y. Wang,&T. Yu.(2014).The ternary Ni-Al-Co embedded-atom-method potential for gamma/gamma ' Ni-based single-crystal superalloys: Construction and application.Chinese Physics B,23(3).
MLA J. P. Du,et al."The ternary Ni-Al-Co embedded-atom-method potential for gamma/gamma ' Ni-based single-crystal superalloys: Construction and application".Chinese Physics B 23.3(2014).
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