Effects of applied mechanical strain on vacancy clustering in FCC Ni

JOURNAL OF NUCLEAR MATERIALS

卷:544

Article

Huang, Shasha¹  Wen, Haohua¹  Guo, Qing¹  Wang, Biao¹  Lai, Kan¹ 

[1] Sun Yat Sen Univ, Sino French Inst Nucl Engn & Technol, Zhuhai 519082, Guangdong, Peoples R China

关键词: Strain;    Stacking fault tetrahedra;    Void;    Molecular dynamics;    Entropy;   

DOI  :  10.1016/j.jnucmat.2020.152659

来源: Elsevier

【 摘 要 】

Irradiation-induced vacancy evolution in face-centered cubic (FCC) Ni under mechanical strains was studied using molecular dynamics simulations. Applied hydrostatic strain s led to different stable forms of vacancy clusters, i.e., voids under epsilon >= +2% and stacking fault tetrahedras (SFTs) under epsilon <= 0. Direct transitions between SFT and void revealed that increasing epsilon magnitude facilitated the thermodynamic stability and dynamical evolution. The estimated free energy difference could well validate the dynamical simulations results by accounting for entropic contribution, which was revealed to play an important role in the thermodynamic stability of vacancy clusters in FCC Ni. (C) 2020 Elsevier B.V. All rights reserved.

【 授权许可】

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