制御した格子欠陥を配置した積層グラフェンの変形解析

抄録

Perfect crystal of graphene which is two-dimentional nano material consists of six-membered rings. Curved surface is formed spontaneously by interaction of arranged 5-7 defects composed of a five-membered ring and a seven-membered ring which show intrinsic curvaturte. We utilize this phenomenon to control the buckling mode and the shape of bending of graphite under compression. Our purpose of this study is to obtain the fundamental information about controlling the out-of-plane deformation of graphene and its layered structure with lattice defects. We report the result of simulation of graphite which is controlled the arrangement of lattice defects under compression using molecular dynamics. The result of simulation shows that delamination occurs in the graphite with 5-7 defects under compression. The delamination mode become remarkable as increasing the number of 5-7 defects in graphite. In addition, we can also observe that such delamination occurs near the 5-7 defects. Stress-strain curve of the simulation shows that the compressive stress of graphite which has perfect lattice(no lattice defects) is higher than that of graphite with lattice deffects. This curve also shows that compressive stress becomes relatively higher as increasing the number of 5-7 defects.