グラファイト/PE界面を含む原子モデルでの変形挙動解析

抄録

In this study, the deformation and fracture behaviors of carbon materials in composites were investigated by numerical simulations using the molecular dynamics method. We have performed compression analysis of nano-composite models of graphite and polyethylene (PE). Graphite structures in models were not only flat against the compression axis, but also wavy, to investigate the difference in stress state at the interface and the associated change in the atomic structure. As a result, it is clarified that the bonding change on Graphite/PEinterface occurs due to densification of PE in the late stage of compression. In addition, a slight difference in the bonding change was observed depending on shapes of graphite surface.