| Defective Graphene Effects on Primary Displacement Damage and He Diffusion at a Ni Graphene Interface: Molecular Dynamics Simulations | |
| Huang, Hai1; Yuan, Xiaoting; Ge, Xiaoxin; Peng Q(彭庆) | |
| Source Publication | CRYSTALS
 |
| 2023-02 | |
| Volume | 13Issue:2Pages:198 |
| Abstract | Ni graphene nanocomposites with high density interfaces have enormous potential as irradiation tolerant materials applied in Gen IV reactors. Nevertheless, the mechanism wherein the intrinsic and/or irradiation induced defects of graphene affect the irradiation tolerance of the composites remains poorly understood. Here, we investigate the effects of the two types of defective graphene on the displacement damage and He diffusion of the composites, respectively, using atomistic simulations. The introduction of the intrinsic defects of graphene has a significant effect on the Ni lattice structure near the Ni graphene interface, especially showing that after displacement cascades, the number of defects gradually increases with the increase in graphene defective size due to the formation and growth of stacking fault tetrahedra. The existence of the irradiation induced defects of graphene does not diminish the ability of the interface to trap He atoms/clusters and even may be maintained or improved, mainly reflected in the fact that many isolated He atoms and small clusters can gradually migrate toward the interface and the fraction of He within the interface is up to 37.72% after 1 ns. This study provides an important insight into the understanding of the association relationships of defective graphene with the irradiation tolerance of composites. |
| Keyword | Ni graphene interface defective graphene displacement damage He diffusion molecular dynamics |
| DOI | 10.3390/cryst13020198 |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:000938364700001 |
| WOS Research Area | Crystallography ; Materials Science, Multidisciplinary |
| WOS Subject | Crystallography ; Materials Science |
| Classification | 二类 |
| Ranking | 3+ |
| Contributor | Huang, H (corresponding author), Zhengzhou Univ, Sch Phys & Microelect, Key Lab Mat Phys, Minist Educ, Zhengzhou 450052, Peoples R China. ; Huang, H (corresponding author), Nanjing Univ Aeronaut & Astronaut, Dept Nucl Sci & Technol, Nanjing 210016, Peoples R China. |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/91783 |
| 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.Nanjing Univ Aeronaut & Astronaut, Dept Nucl Sci & Technol, Nanjing 210016, Peoples R China 3.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China |
| Recommended Citation GB/T 7714 | Huang, Hai,Yuan, Xiaoting,Ge, Xiaoxin,et al. Defective Graphene Effects on Primary Displacement Damage and He Diffusion at a Ni Graphene Interface: Molecular Dynamics Simulations[J]. CRYSTALS,2023,13,2,:198.Rp_Au:Huang, H (corresponding author), Zhengzhou Univ, Sch Phys & Microelect, Key Lab Mat Phys, Minist Educ, Zhengzhou 450052, Peoples R China., Huang, H (corresponding author), Nanjing Univ Aeronaut & Astronaut, Dept Nucl Sci & Technol, Nanjing 210016, Peoples R China. |
| APA | Huang, Hai,Yuan, Xiaoting,Ge, Xiaoxin,&彭庆.(2023).Defective Graphene Effects on Primary Displacement Damage and He Diffusion at a Ni Graphene Interface: Molecular Dynamics Simulations.CRYSTALS,13(2),198. |
| MLA | Huang, Hai,et al."Defective Graphene Effects on Primary Displacement Damage and He Diffusion at a Ni Graphene Interface: Molecular Dynamics Simulations".CRYSTALS 13.2(2023):198. |
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| Jp2023A033.pdf（15865KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
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