格子欠陥を考慮したナノ積層構造を有するグラファイトのキンク変形解析

抄録

Graphite is carbon nanomaterial with laminated structure as perfect crystal, which has excellent mechanical properties. In this work, our purpose is to obtain the fundamental information about controlling the out-of-plane deformation of nano layered graphene with lattice defects. We investigate simulation of multi-layer graphene which is controlled by the arrangement of lattice defects under compression using molecular dynamics method. The results of simulation show that out-of-plane deformation such as delamination and kink deformation occur in the multi-layer graphene with dislocations under compression. In addition, we can also observe that delamination usually occurs near the dislocations. This characteristical deformation is affected by the position and misorientation angle of dislocation array. Compressive stress-compressive strain curves of the simulation show that maximum compressive stress becomes relatively higher as increasing the number of dislocations. From these results, there is some possibility of controlling compressive deformation of graphene by arranging dislocations regularly.