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论文类型： 期刊论文

发表时间： 2013-07-28

发表刊物： PHYSICAL CHEMISTRY CHEMICAL PHYSICS

收录刊物： SCIE、PubMed、Scopus

卷号： 15

期号： 28

页面范围： 11794-11799

ISSN号： 1463-9076

摘要： We present a molecular dynamic simulation on the mechanical strength and fracture behavior of graphene grain boundaries (GBs). The intrinsic strength, critical failure strain, and failure mechanism of graphene GBs mainly rely on the temperature and inflection angle, whereas the Young's modulus does not vary significantly with either temperature or boundary configuration. The overall intrinsic strengths of inflected GBs can be correlated with infection angle by a linear term, which is irrelevant to the system temperature. The initial failure sites of GBs locate either on the boundary line or inside the domain at high temperature.