论文标题
二维材料划分
Rippling of two-dimensional materials by line defects
论文作者
论文摘要
已知二维材料及其机械性能受到波纹变形的深刻影响。但是，尽管涟漪知识熟悉，但对它们的起源和受控修饰知之甚少。在这里，由于最近关于石墨烯中线缺陷的激光控制创建的报道，我们研究了如何使用线路缺陷来控制石墨烯和其他二维材料中的波纹。通过顺序的多尺度耦合密度功能紧密结合和连续弹性模拟，当线缺陷的数量和累积长度增加时，我们量化了波纹的量。模拟表明，具有线路缺陷网络的弹性板会产生波纹，从而引起相当大的平面外刚化和以非线性弹性行为的形式软化。我们希望这些见解有助于指导实验尝试，以修改石墨烯和其他二维材料的机械性能。
Two-dimensional materials and their mechanical properties are known to be profoundly affected by rippling deformations. However, although ripples are fairly well understood, less is known about their origin and controlled modification. Here, motivated by recent reports of laser-controlled creation of line defects in graphene, we investigate how line defects could be used to control rippling in graphene and other two-dimensional materials. By sequential multi-scale coupling of density-functional tight-binding and continuum elasticity simulations, we quantify the amount of rippling when the number and the cumulative length of the line defects increase. Simulations show that elastic sheets with networks of line defects create rippling that induces considerable out-of-plane rigidification and in-plane softening with non-linear elastic behavior. We hope that these insights help to guide experimental attempts to modify the mechanical properties of graphene and other two-dimensional materials.
