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Atomistic study of the mechanical stability of multi-layered graphene nanobridges

机译:多层石墨烯纳米机械稳定性的原子研究

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The stability of elongated single- and multi-layered graphene nanoribbons (GNRs) are investigated by molecular-dynamics simulation. In order that GNRs are to be modeled as nanobridges connecting two terminals of electronic devices, the short edges of the GNRs are constrained. The distances between the two constrained edges are gradually increased, and the GNRs are uniaxially strained. The energies and out-of-plane deformations of such uniaxially strained GNRs are examined. The energies of multi-layered GNRs will be lower than those of isolated GNRs because the surface areas of multi-layered GNRs are smaller than the total area of the isolated GNRs. Understanding the relationship between the out-of-plane deformations and strain will lead to the control of the ripple structures of GNRs.
机译:通过分子动力学模拟研究了细长的单层和多层石墨烯纳米纤维(GNR)的稳定性。为了将GNR建模为连接两个电子设备的两个端子的纳米铁路,GNR的短边受约束。两个约束边缘之间的距离逐渐增加,并且GNR是单轴应变的。检查这种单轴应变的GNR的能量和面外变形。多层GNR的能量将低于隔离的GNRS,因为多层GNR的表面积小于分离的GNR的总面积。理解平面外变形和应变之间的关系将导致GNRS的纹波结构的控制。

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