The energy and stability of helium-related cluster in nickel: A study of molecular dynamics simulation

被引：7

作者：

Gong, Hengfeng ^{[1
,2
]}

Wang, Chengbin ^{[1
,2
]}

Zhang, Wei ^{[1
,2
]}

Xu, Jian ^{[1
,2
]}

Huai, Ping ^{[1
,3
]}

Deng, Huiqiu ^{[4
]}

Hu, Wangyu ^{[4
]}

机构：

[1] Chinese Acad Sci, Shanghai Inst Appl Phys, Div Nucl Mat & Engn, Shanghai 201800, Peoples R China

[2] Chinese Acad Sci, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China

[3] Chinese Acad Sci, Key Lab Nucl Radiat & Nucl Energy Technol, Shanghai 201800, Peoples R China

[4] Hunan Univ, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China

来源：

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS | 2016年 / 368卷

基金：

中国国家自然科学基金;

关键词：

Helium-related cluster; Energy; Stability; VACANCY CLUSTERS; THERMAL-STABILITY; POTENTIALS; BEHAVIOR; DEFECTS; MECHANISM; SURFACE; GROWTH; METALS; NI;

D O I：

10.1016/j.nimb.2015.11.036

中图分类号：

TH7 [仪器、仪表];

学科分类号：

0804 ; 080401 ; 081102 ;

摘要：

Using molecular dynamics simulation, we investigated the energy and stability of helium-related cluster in nickel. All the binding energies of the He-related clusters are demonstrated to be positive and increase with the cluster sizes. Due to the pre-existed self-interstitial nickel atom, the trapping capability of vacancy to defects becomes weak. Besides, the minimum energy configurations of He-related clusters exhibit the very high symmetry in the local atomistic environment. And for the He-N and He(N)V(1)SIA(1) clusters, the average length of He-He bonds shortens, but it elongates for the HeNV1I clusters with helium cluster sizes. The helium-to-vacancy ratio plays a decisive role on the binding energies of HeNVM cluster. These results can provide some excellent clues to insight the initial stage of helium bubbles nucleation and growth in the Ni-based alloys for the Generation-IV Molten Salt Reactor. (C) 2015 Elsevier B.V. All rights reserved.

引用

页码：75 / 80

页数：6

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