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Boundary-dependent mechanical properties of graphene annular under in-plane circular shearing via atomistic simulations

机译:石墨烯圆环在平面内剪切下的边界相关力学性能的原子模拟

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摘要

Graphene annulus possesses special wrinkling phenomenon with wide range of potential applications. Using molecular dynamics simulation, this study concerns the effect of boundary on the mechanical properties of circular and elliptical graphene annuli under circular shearing at inner edge. Both the wrinkle characteristic and torque capacity of annular graphene can be effectively tuned by outer boundary radius and aspect ratio. For circular annulus with fixed inner radius, the critical angle of rotation can be increased by several times without sacrificing its torque capacity by increasing outer boundary radius. The wrinkle characteristic of graphene annulus with elliptical outer boundary differs markedly with that of circular annulus. Torque capacity anomalously decreases with the increase of aspect ratio, and a coupled effect of the boundary aspect ratio and the ratio of minor axis to inner radius on wrinkling are revealed. By studying the stress distribution and wrinkle characteristics, we find the decay of torque capacity is the result of circular stress concentration around the minor axis, while the nonuniform stress distribution is anomalously caused by the change of wrinkle profiles near the major axis. The specific mechanism of out-of-plane deformation on in-plane strength provides a straightforward means to develop novel graphene-based devices.
机译:石墨烯环具有特殊的起皱现象,具有广泛的潜在应用。使用分子动力学模拟,本研究关注边界对内边缘圆形剪切下圆形和椭圆形石墨烯环的力学性能的影响。环形石墨烯的皱纹特性和抗扭能力都可以通过外边界半径和长宽比有效地调整。对于具有固定内半径的圆形环,可以通过增加外边界半径在不牺牲其扭矩容量的情况下将临界旋转角增加数倍。椭圆形外边界的石墨烯环的皱纹特征与圆形环的褶皱特征明显不同。转矩容量随着长径比的增加而反常地减小,并且显示出边界长径比和短轴与内径之比对起皱的耦合作用。通过研究应力分布和皱纹特性,我们发现扭矩能力的衰减是短轴周围圆形应力集中的结果,而应力不均匀分布是由长轴附近的皱纹变化引起的。面外变形对面内强度的特定机制提供了开发新颖的基于石墨烯的器件的直接方法。

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