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Snap-through of graphene nanowrinkles under out-of-plane compression

机译:面外压缩下石墨烯纳米褶皱的卡断

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摘要

Nanowrinkles (i.e. the buckled nanoribbons) are widely observed in nano-devices assembled by two-dimensional (2D) materials. The existence of nanowrinkles significantly affects the physical (such as mechanical, electrical and thermal) properties of 2D materials, and thus further, impedes the applications of those devices. In this paper, we take the nanowrinkle formed in a monolayer graphene as a model system to study its deformation behaviours, especially the configuration evolution and the snap-through buckling instabilities, when subjected to the out-of-plane compression. By performing molecular dynamics simulation, the graphene nanowrinkles with or without self-adhesion (which are notated as 'clipped' state or 'bump' state, respectively) are obtained depending on the geometric size and the applied axial compressive pre-strain. The elastica theory is employed to quantify the shape of 'bump' nanowrinkles, as well as the critical condition of the transition between 'clipped' and 'bump' states. By applying out-of-plane compression to the generated graphene nanowrinkle, it flips to an opposite configuration via snap-through buckling. We identify four different buckling modes according to the configuration evolution. An unified phase diagram is constructed to describe those buckling modes. For the cases with negligible van der Waals interaction getting involved in the snap-buckling process, i.e. without self-adhesion, the force-displacement curves for nanowrinkles with same axial pre-strain but different sizes can be scaled to collapse. Moreover, the critical buckling loads can also be scaled and predicted by the extended elastica theory. Otherwise, for the cases with self-adhesion, which corresponds to the greater axial pre-strain, the van der Waals interaction makes the scaling collapse break down. It is expected that the analysis about the snap-through buckling of graphene nanowrinkles reported in this work will advance the understanding of the mechanical behaviours of wrinkled 2D materials and promote the design of functional nanodevices, such as nanomechanical resonators and capacitors.
机译:纳米皱纹(即带扣的纳米带)在由二维(2D)材料组装的纳米器件中被广泛观察到。纳米皱纹的存在显着影响了二维材料的物理(如机械、电气和热)特性,从而进一步阻碍了这些设备的应用。本文以单层石墨烯中形成的纳米皱纹为模型体系,研究了其在面外压缩作用下的变形行为,特别是构型演变和卡贯屈曲不稳定性。通过进行分子动力学模拟,根据几何尺寸和施加的轴向压缩预应变,获得了具有或不具有自粘附(分别表示为“剪裁”状态或“凸起”状态)的石墨烯纳米皱纹。弹性理论用于量化“凹凸”萘皱的形状,以及“凹陷”和“凹凸”状态之间过渡的临界条件。通过对生成的石墨烯纳米皱纹施加面外压缩,它通过卡扣屈曲翻转到相反的构型。根据构型演变,我们确定了四种不同的屈曲模式。构建了一个统一的相图来描述这些屈曲模式。对于范德华相互作用可以忽略不计的情况,参与弹屈曲过程,即在没有自粘的情况下,轴向预应变相同但尺寸不同的纳米褶皱的力-位移曲线可以缩放到坍塌。此外,临界屈曲荷载也可以通过扩展弹性理论进行缩放和预测。否则,对于具有自粘性的情况,对应于较大的轴向预应变,范德华相互作用使结垢塌陷失效。预计本文报道的石墨烯纳米皱纹的卡扣屈曲分析将促进对皱纹二维材料力学行为的理解,并促进功能纳米器件的设计,如纳米机械谐振器和电容器。

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