Artificial boundary conditions for out-of-plane motion in penta-graphene |
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| Authors: | Songsong Ji Shaoqiang Tang |
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| Institution: | 1.MoE Key Laboratory of High Energy Density Physics Simulations, Center for Applied Physics and Technology, Key Laboratory of Turbulence and Complex Systems, College of Engineering,Peking University,Beijing,China |
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| Abstract: | 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 artificial boundary conditions. These conditions may be used for studying mechanical behaviours of the novel complex lattice of penta-graphene. |
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