论文标题
分层材料中的起裂:sublinear缩放和基础攀爬
Ripplocations in Layered Materials: Sublinear Scaling and Basal Climb
论文作者
论文摘要
RIPPLACATION是一种晶体学缺陷,是分层材料独有的,将纳米级分层与基底脱位的晶体学滑动相结合。在这里,我们使用分析和计算技术研究了单个和多个范德华层中的基础位错和转弯。得出了表面裂口的能量和结构缩放系数的表达,它们与经典地毯的物理学密切相当。我们的模拟表明,分层材料中错位堆积的最低能量结构是裂痕,而大量石墨中的大错堆积堆积显示多层分层,曲率和空隙。这可以为在辐照石墨中看到的大容量扩张提供简洁的解释。
The ripplocation is a crystallographic defect which is unique to layered materials, combining nanoscale delamination with the crystallographic slip of a basal dislocation. Here, we have studied basal dislocations and ripplocations, in single and multiple van der Waals layers, using analytical and computational techniques. Expressions for the energetic and structural scaling factors of surface ripplocations are derived, which are in close correspondence to the physics of a classical carpet ruck. Our simulations demonstrate that the lowest-energy structure of dislocation pile-ups in layered materials is the ripplocation, while large dislocation pile-ups in bulk graphite demonstrate multilayer delamination, curvature and voids. This can provide a concise explanation for the large volumetric expansion seen in irradiated graphite.