石墨烯
材料科学
纳米压痕
范德瓦尔斯力
复合材料
变形(气象学)
分子动力学
弯曲
纳米材料
抗弯强度
热导率
缩进
纳米技术
分子
化学
计算化学
有机化学
作者
Youzhe Yang,Jun Ma,Jie Yang,Yingyan Zhang
标识
DOI:10.1016/j.tws.2023.111341
摘要
Two-dimensional nanomaterials, such as graphene and h-BN have been widely used as reinforcing fillers for polymer-based impact protection materials, phase change materials (PCM) or thermal interface materials (TIM) due to its exceptional high mechanical strength and high thermal conductivity. But the mechanical properties of graphene/h-BN (GBN) van der Waals (vdW) heterostructures remain largely unexplored. Herein we carry out intensive nanoindentation tests on GBN by using molecular dynamics simulations as well as finite element analysis to investigate its mechanical properties, its fracture mechanisms as well as the effective manipulation techniques for force and deformation. Compared with its homogeneous counterparts (pure graphene or pure h-BN), the heterogenous GBN possess excellent performance in resisting bending deformation in terms of the indentation load and depth. The size-dependent performance of GBN can be effectively manipulated by hydrogenation in the middle graphene and layer number, except the composition diffusion interface. This comprehensive study confirms that the high strength and high flexibility of GBN endow it with great potential in the applications of impact protection and thermal management in PCM and TIM.
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