多孔石墨烯渗氦仿真研究*

doi:10.13385/j.cnki.vacuum.2021.01.03

Abstract

Abstract: There are characteristics of easy adjustment of permeability and good stability for porous graphene membrane that can realize a controllable nano-permeable component as materials of standard leak in vacuum leak. In this paper, MD simulation is used to simulate the helium permeation of single-layer porous graphene, and the helium permeation parameters of porous graphene in different directions and different forms are obtained. The simulation result shows that the number of defective carbon rings and the helium permeation rate of graphene defects can be approximately linear along the zigzag direction and the diagonal direction, and the slopes are approximately equal. The helium permeation rate of graphene with different graphene shapes is similar when the number of missing carbon rings in monolayer porous graphene is small, and the permeation increment is obtained by calculating and simulating the barrier reduction when the number of missing carbon rings is large. This conclusion proves the controllability of porous graphene as materials of standard leak, which has guiding significance for permeation experiments.

Key words: graphene, penetration, molecular dynamics simulation, membrane

CLC Number:

TB742

ZHANG Xiao, LIU Zhao-xian, MENG Dong-hui, REN Guo-hua, WANG Li-na, YAN Rong-xin. Simulation Study on Porous Graphene Helium Permeation[J].VACUUM, 2021, 58(1): 10-14.

References

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Simulation Study on Porous Graphene Helium Permeation

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