Molecular dynamics simulation studies of displacement cascade induced defects in gold nanotubes

doi:10.1016/j.nimb.2019.09.029

	Molecular dynamics simulation studies of displacement cascade induced defects in gold nanotubes
	Liu, Wenqiang 1; Chen, Yonghui 1; Duan, Jinglai 1; Chen, Piheng 2; Qiu, Ruizhi 2; Zhang, Shengxia 1; Liu, Jie 1
刊名	NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
	2019-12-15
卷号	461 页码:142-148
关键词	Displacement cascade Nanotube Molecular dynamics Defects Radiation damage
ISSN号	0168-583X
DOI	10.1016/j.nimb.2019.09.029
通讯作者	Liu, Wenqiang(wqliu@impcas.ac.cn) ; Liu, Jie(j.liu@impcas.ac.cn)
英文摘要	In order to investigate the defects induced by displacement cascade in gold nanotubes, primary knock-on atoms with kinetic energies of 1 keV were introduced at the exterior surface of the nanotubes. The evolution of the collision cascade as well as the defects generated in the nanotube were studied using molecular dynamics simulation. We found that point defects and stacking faults were induced by the cascade. The interior surface of the nanotube acts as the sinks to absorb the point defects as the same as the exterior surface does, especially when the distance between them is decreased. Consequently, both the two surfaces influence the time evolution and the residual number of point defects in the nanotubes. In the gold nanotubes with fixed external diameter, the number of interstitials is decreased with the internal diameter increasing, while the number of vacancies does not show a clear trend with the variation of the internal diameters. The probability of formation of stacking faults is higher in gold nanotubes with larger internal diameters which caused by the fact that the formation of stacking faults is facilitated by the interior surface. The results show that, due to the specific geometry of the nanotubes, the evolution and the production of the cascade-induced damage has its own features.
资助项目	National Natural Science Foundation of China[11705246] ; National Natural Science Foundation of China[11675233] ; National Natural Science Foundation of China[11690041]
WOS关键词	IRRADIATION-INDUCED DEFECTS ; RADIATION-DAMAGE ; METALS
WOS研究方向	Instruments & Instrumentation ; Nuclear Science & Technology ; Physics
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000501391200026
资助机构	National Natural Science Foundation of China
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/141277]
专题	中国科学院近代物理研究所
通讯作者	Liu, Wenqiang; Liu, Jie
作者单位	1.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Gansu, Peoples R China 2.Sci & Technol Surface Phys & Chem Lab, POB 718-35, Mianyang 621907, Sichuan, Peoples R China
推荐引用方式 GB/T 7714	Liu, Wenqiang,Chen, Yonghui,Duan, Jinglai,et al. Molecular dynamics simulation studies of displacement cascade induced defects in gold nanotubes[J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS,2019,461:142-148.
APA	Liu, Wenqiang.,Chen, Yonghui.,Duan, Jinglai.,Chen, Piheng.,Qiu, Ruizhi.,...&Liu, Jie.(2019).Molecular dynamics simulation studies of displacement cascade induced defects in gold nanotubes.NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS,461,142-148.
MLA	Liu, Wenqiang,et al."Molecular dynamics simulation studies of displacement cascade induced defects in gold nanotubes".NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 461(2019):142-148.