Role of interface on irradiation damage of Cu-diamond composites using classical molecular dynamics simulations

doi:10.1016/j.ceramint.2022.02.232

CORC > 力学研究所 > 中国科学院力学研究所 > 非线性力学国家重点实验室

	Role of interface on irradiation damage of Cu-diamond composites using classical molecular dynamics simulations
	Jin, Yanan 4; Huang, Hai 3,4; Zhong, Yinghui 3,4; Yuan, Xiaoting 4; Li, Huan 2; Lou, Ding 4; Xie, Kun 4; Liu, Zhongxia 4; Cai, Bin 3,4; Peng Q(彭庆)1
刊名	CERAMICS INTERNATIONAL
	2022-06-15
卷号	48 期号:12 页码:16813-16824
关键词	Thermal management materials Cu-diamond interface Displacement cascades Irradiation tolerance Molecular dynamics Spacecraft electronics
ISSN号	0272-8842
DOI	10.1016/j.ceramint.2022.02.232
通讯作者	Huang, Hai(huanghai@zzu.edu.cn)
英文摘要	Cu-diamond composites have been proposed as a candidate thermal management material for spacecraft electronics. Nevertheless, irradiation effects on the composites remain poorly understood at present. Here we focus on investigating the influence of Cu-diamond interfaces (CDIs) on energetic displacement cascades using atomistic simulations. Results show that a primary knock-on atom of Cu (PKA-Cu) can induce more significant damage than a PKA-C. Under almost all circumstances, the statistically averaged fraction of surviving interstitials is not only lower than that of vacancies but also no more than 1. Because of the unique nature in the mobility and interactions with CDIs, Cu interstitials exhibit the lowest concentration among all defects in most cases. The high residual rate of displaced defects in diamond makes it relatively difficult to heal. The structural damage is mainly manifested in a short-range disorder of diamond and a long-range disorder of Cu after irradiation. At elevated temperatures, the atomic displacement region may form compact chain-like defects to restrain lattice loosening. Despite the above, CDIs could act as effective sinks to facilitate the recombination and/or annihilation of irradiation-induced defects in all scenarios. This study provides an important insight into the understanding of the microscopic evolution of irradiation defects for the composites.
分类号	一类
资助项目	National Natural Science Foundation of China[12105249] ; National Natural Science Foundation of China[11974316] ; Key Project for Science and Technology Development of Henan Province[212102210195] ; Natural Science Basic Research Project of Shaanxi Province[2021JQ-976] ; National Supercomputing Center in Zhengzhou ; LiYing Program of the Institute of Mechanics, Chinese Academy of Sciences[E1Z1011001]
WOS关键词	HIGH THERMAL-CONDUCTIVITY ; RADIATION-DAMAGE ; DISPLACEMENT CASCADES ; ATOMIC DISPLACEMENT ; DEFORMATION ; MANAGEMENT ; EVOLUTION ; NANOCOMPOSITES ; POWER
WOS研究方向	Materials Science
语种	英语
WOS记录号	WOS:000830859500001
资助机构	National Natural Science Foundation of China ; Key Project for Science and Technology Development of Henan Province ; Natural Science Basic Research Project of Shaanxi Province ; National Supercomputing Center in Zhengzhou ; LiYing Program of the Institute of Mechanics, Chinese Academy of Sciences
其他责任者	Huang, Hai
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/89797]
专题	力学研究所_非线性力学国家重点实验室
作者单位	1.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China 2.Xian Rare Met Mat Inst Co Ltd, Xian 710016, Peoples R China; 3.Zhengzhou Univ, Inst Intelligent Sensing, Zhengzhou 450001, Peoples R China; 4.Zhengzhou Univ, Sch Phys & Microelect, Key Lab Mat Phys, Minist Educ, Zhengzhou 450052, Peoples R China;
推荐引用方式 GB/T 7714	Jin, Yanan,Huang, Hai,Zhong, Yinghui,et al. Role of interface on irradiation damage of Cu-diamond composites using classical molecular dynamics simulations[J]. CERAMICS INTERNATIONAL,2022,48(12):16813-16824.
APA	Jin, Yanan.,Huang, Hai.,Zhong, Yinghui.,Yuan, Xiaoting.,Li, Huan.,...&彭庆.(2022).Role of interface on irradiation damage of Cu-diamond composites using classical molecular dynamics simulations.CERAMICS INTERNATIONAL,48(12),16813-16824.
MLA	Jin, Yanan,et al."Role of interface on irradiation damage of Cu-diamond composites using classical molecular dynamics simulations".CERAMICS INTERNATIONAL 48.12(2022):16813-16824.