辐照下石墨烯损伤对铜-石墨烯纳米复合材料抗辐射性能和结构的影响：分子动力学研究。
Graphene damage effects on radiation-resistance and configuration of copper-graphene nanocomposite under irradiation: A molecular dynamics study.
机构信息
Department of Nuclear Science &Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016, China.
Jiangsu Key Laboratory of Nuclear Energy Equipment Materials Engineering, Nanjing, 210016, China.
出版信息
Sci Rep. 2016 Dec 16;6:39391. doi: 10.1038/srep39391.
Metal-graphene nanocomposite is a kind of potential radiation tolerant material. Graphene damage of the composite is inevitable within radiation environments. In this paper, two kinds of copper-graphene nanocomposite (CGNC) systems containing perfect graphene and prefabricated damage graphene, respectively, were adopted to expound the influences of graphene damage on the properties (radiation-resistance and configuration) of CGNC under irradiation by atomistic simulations. In the CGNC containing perfect graphene, the increasing graphene damage induced by the increase of the number of cascades, did not obviously impair the role of copper-graphene interface in keeping the properties of CGNC. In the CGNC containing prefabricated damage graphene, the properties of CGNC would significantly deteriorate once the radius of prefabricated damage exceeds 10 Å, and even stacking fault tetrahedral would occur in the CGNC. The results highlighted that prefabricated graphene damage have greater effects on the change of the properties of CGNC. Therefore, it is very necessary to maintain the structural integrity of graphene for improving the radiation-resistance and configuration of CGNC.
金属-石墨烯纳米复合材料是一种有潜力的耐辐射材料。在辐射环境下，复合材料中的石墨烯不可避免地会受到损伤。本文采用两种含有完美石墨烯和预制损伤石墨烯的铜-石墨烯纳米复合材料（CGNC）体系，通过原子模拟阐述了石墨烯损伤对辐照下 CGNC 性能（抗辐射性和结构）的影响。在含有完美石墨烯的 CGNC 中，随着级联数量的增加，石墨烯损伤的增加并没有明显削弱铜-石墨烯界面在保持 CGNC 性能方面的作用。在含有预制损伤石墨烯的 CGNC 中，一旦预制损伤的半径超过 10 Å，CGNC 的性能就会显著恶化，甚至会出现堆垛层错四面体。结果表明，预制石墨烯损伤对 CGNC 性能变化的影响更大。因此，为了提高 CGNC 的抗辐射性和结构，保持石墨烯的结构完整性是非常必要的。
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