| Role of interface on irradiation damage of Cu-diamond composites using classical molecular dynamics simulations | |
| Jin, Yanan1; Huang, Hai1,2; Zhong, Yinghui1,2; Yuan, Xiaoting1; Li, Huan3; Lou, Ding1; Xie, Kun1; Liu, Zhongxia1; Cai, Bin1,2; Peng Q(彭庆)4 | |
| Corresponding Author | Huang, Hai([email protected]) |
| Source Publication | CERAMICS INTERNATIONAL
 |
| 2022-06-15 | |
| Volume | 48Issue:12Pages:16813-16824 |
| ISSN | 0272-8842 |
| Abstract | 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. |
| Keyword | Thermal management materials Cu-diamond interface Displacement cascades Irradiation tolerance Molecular dynamics Spacecraft electronics |
| DOI | 10.1016/j.ceramint.2022.02.232 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:000830859500001 |
| WOS Keyword | HIGH THERMAL-CONDUCTIVITY ; RADIATION-DAMAGE ; DISPLACEMENT CASCADES ; ATOMIC DISPLACEMENT ; DEFORMATION ; MANAGEMENT ; EVOLUTION ; NANOCOMPOSITES ; POWER |
| WOS Research Area | Materials Science |
| WOS Subject | Materials Science, Ceramics |
| Funding Project | 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] |
| Funding Organization | 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 |
| Classification | 一类 |
| Ranking | 3+ |
| Contributor | Huang, Hai |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/89798 |
| Collection | 非线性力学国家重点实验室 |
| Affiliation | 1.Zhengzhou Univ, Sch Phys & Microelect, Key Lab Mat Phys, Minist Educ, Zhengzhou 450052, Peoples R China; 2.Zhengzhou Univ, Inst Intelligent Sensing, Zhengzhou 450001, Peoples R China; 3.Xian Rare Met Mat Inst Co Ltd, Xian 710016, Peoples R China; 4.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China |
| Recommended Citation 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.Rp_Au:Huang, Hai |
| 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. |
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| Jp2022FA303.pdf（19006KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
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