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Size and Chirality Dependent Elastic Properties of Graphene Nanoribbons under Uniaxial Tension

机译：单轴拉伸下石墨烯纳米带的尺寸和手性相关的弹性

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摘要

We investigate the mechanical strength and properties of graphene under uniaxial tensile test as a function of size and chirality using the orthogonal tight-binding method and molecular dynamics simulations with the AIREBO potential. Our results on Young's modulus, fracture strain, and fracture strength of bulk graphene are in reasonable agreement with the recently published experimental data. Our results indicate that fracture strain and fracture strength of bulk graphene under uniaxial tension can have a significant dependence on the chirality. Mechanical properties such as Young's modulus and Poisson's ratio can depend strongly on the size and chirality of the graphene nanoribbon.
机译：我们使用正交紧密结合法和具有AIREBO势的分子动力学模拟，研究了石墨烯在单轴拉伸试验下的机械强度和性能随尺寸和手性的变化。我们关于块状石墨烯的杨氏模量，断裂应变和断裂强度的结果与最近发表的实验数据基本吻合。我们的结果表明，单轴拉伸下本体石墨烯的断裂应变和断裂强度可能与手性有很大关系。诸如杨氏模量和泊松比之类的机械性能可极大地取决于石墨烯纳米带的尺寸和手性。

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