CAS OpenIR  > 中科院上海应用物理研究所2011-2019年
A molecular dynamics study of helium diffusion and clustering in fcc nickel
Wang, CB; Ren, CL; Zhang, W; Gong, HF; Huai, P; Zhu, ZY; Deng, HQ; Hu, WY
2015
Source PublicationCOMPUTATIONAL MATERIALS SCIENCE
Volume107Pages:54—57
Subtype期刊文献
AbstractHelium diffusion and clustering in nickel are studied by molecular dynamics simulations. Extensive atomistic simulations are performed using a modified analytic embedded-atom model. We find that the rate of helium clustering increases with increasing temperature, and interstitial helium clusters can create nickel interstitials when they reach sufficient size and temperature is higher than 600 K. Finally, the mobility of helium clusters is also investigated using trajectory time decomposition method. The diffusion properties of He clusters with 1-3 helium atoms are found to obey the Arrhenius relationship over the whole temperature range considered while He clusters with 4 helium atoms show an non-Arrhenius relationship at higher temperatures. (C) 2015 Elsevier B.V. All rights reserved.
KeywordPrinciples Calculations Bcc Iron Metals Tungsten Potentials Energies Hydrogen Defects Bubbles Surface
Indexed BySCI
Language英语
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/24372
Collection中科院上海应用物理研究所2011-2019年
Recommended Citation
GB/T 7714
Wang, CB,Ren, CL,Zhang, W,et al. A molecular dynamics study of helium diffusion and clustering in fcc nickel[J]. COMPUTATIONAL MATERIALS SCIENCE,2015,107:54—57.
APA Wang, CB.,Ren, CL.,Zhang, W.,Gong, HF.,Huai, P.,...&Hu, WY.(2015).A molecular dynamics study of helium diffusion and clustering in fcc nickel.COMPUTATIONAL MATERIALS SCIENCE,107,54—57.
MLA Wang, CB,et al."A molecular dynamics study of helium diffusion and clustering in fcc nickel".COMPUTATIONAL MATERIALS SCIENCE 107(2015):54—57.
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