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Homogenized Elastic Properties of Graphene for Small Deformations

机译:石墨烯小变形的均质弹性

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摘要

In this paper, we provide the quantification of the linear and non-linear elastic mechanical properties of graphene based upon the judicious combination of molecular mechanics simulation results and homogenization methods. We clarify the influence on computed results by the main model features, such as specimen size, chirality of microstructure, the effect of chosen boundary conditions (imposed displacement versus force) and the corresponding plane stress transformation. The proposed approach is capable of explaining the scatter of the results for computed stresses, energy and stiffness and provides the bounds on graphene elastic properties, which are quite important in modeling and simulation of the virtual experiments on graphene-based devices.
机译:在本文中,我们结合了分子力学模拟结果和均质化方法的合理组合,对石墨烯的线性和非线性弹性力学性能进行了量化。我们弄清了主要模型特征对计算结果的影响,例如样本大小,微观结构的手性,所选边界条件(施加的位移对力)的影响以及相应的平面应力转换。所提出的方法能够解释计算应力,能量和刚度的结果分散性,并提供石墨烯弹性特性的界限,这在基于石墨烯的设备的虚拟实验的建模和仿真中非常重要。

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