中文摘要：

为揭示复合材料在拉伸过程中的破坏机理,对石墨烯/碳化硅复合材料的拉伸力 学性能进行了分子动力学模拟. 研究结果表明：石墨烯与碳化硅接触的界面结构会影响复 合材料的整体力学性能;相较于纯碳化硅,石墨烯/ 碳化硅复合材料在拉伸时,损伤更容易 在界面处成核并生长;当石墨烯与碳化硅通过不同界面接触时,石墨烯与基底之间的不同 相互作用使复合材料有不同的力学性能,相较于石墨烯直接与碳化硅的C 表面接触,当 石墨烯与S i原子接触时复合材料有更高的强度和失效应变.

英文摘要：

In order to discover the underlying mechanisms of tensile fracture of composites, the tensile mechanical properties of graphene/SiC composites are simulated on the basis of molecular dynamics （MD）. The results show that （1） the interface between graphene and SiC may affect the mechanical properties of the whole composite sys-tems; （2） in comparison with the damage of bulk SiC systems, the damage of the composites tends to nucleate and grow on the interface in the tension process; （3） graphene/SiC composites with different interface structures po-ssess different mechanical behaviors due to the various interaction between graphene and SiC; and （4） in compari-son with the contact of grapheme sheet with C surface, the direct contact of single graphene sheet with Si in the substrate results in higher strength and failure strain.