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Variational model for a rippled graphene sheet

机译:波纹石墨烯片的变分模型

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摘要

The calculus of variations is utilised to study the behaviour of a rippled graphene sheet supported on a metal substrate. We propose a model that is underpinned by two key parameters, the bending rigidity of graphene γ , and the van der Waals interaction strength ξ . Three cases are considered, each of which addresses a specific configuration of a rippled graphene sheet located on a flat substrate. The transitional case assumes that both the graphene sheet length and substrate length are constrained. The substrate constrained case assumes only the substrate has a constrained length. Finally, the graphene constrained case assumes only the length of the graphene sheet is constrained. Numerical results are presented for each case, and the interpretation of these results demonstrates a continuous relationship between the total energy per unit length and the substrate length, that incorporates all three configurations. The present model is in excellent agreement with earlier results of molecular dynamics (MD) simulations in predicting the profiles of graphene ripples.
机译:使用变化的差异来研究支撑在金属基材上的波纹石墨烯片的行为。我们提出了一种由两个关键参数,石墨烯γ的弯曲刚性的模型,以及范德华相互作用强度ξ。考虑了三种情况,每个案例都针对位于扁平基板上的波纹石墨烯片的特定配置。过渡性外壳假设石墨烯片长度和基板长度都受到约束。基板受限情况仅采用基板具有约束长度。最后,石墨烯受约束的情况仅呈现石墨烯片的长度被约束。为每种情况呈现数值结果,并且这些结果的解释演示了每单位长度的总能量和基板长度之间的连续关系,其包含所有三种配置。本模型与预测石墨烯涟漪曲线的分子动力学(MD)模拟的前面的结果非常一致。

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