Artificial boundary conditions for out-of-plane motion in penta-graphene

摘要

In this paper, artificial boundary conditions are designed for out-of-plane waves in penta-graphene, a newly proposed allotrope of carbon. By matching the dispersion relation for acoustic branch phonons in the long wave limit, we determine parameters in proposed linear constraints among displacements and velocities at the boundary and nearby atoms. Reflection analysis for normal incidences and a numerical test demonstrate the effectiveness of the artifi-cial boundary conditions. These conditions may be used for studying mechanical behaviours of the novel complex lattice of penta-graphene.