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Molecular dynamics simulation of Argon-atom bombardment on graphene sheets

机译:石墨烯片上氩原子轰击的分子动力学模拟

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By a molecular dynamics method and using different incident energy and particle density, we calculated the argon-atom bombardment on a graphene sheet. The results show that, the damage of the bombardment on the graphene sheet depends not only on the incident energy but also on the particle density of argon atoms. To compare and analyze the effect of the incident energy and the particle density in the argon-atom bombardment, we defined the impact factor on graphene sheet of the incident energy and the particle density by analyzing the structural Lindeman- index and calculating the broken-hole area of the sheet, respectively. The results indicate that, there is a critical incident energy and particle density for destroying the graphene sheet, and there is an exponential accumulated-damage for the impact of both the incident energy and the particle density in argon-atom bombardment on a graphene sheet. Our results supply some valuable mechanics parameters for fabrication of potential graphene-based electronic devices with high particle radiation.
机译:通过分子动力学方法并使用不同的入射能和粒子密度,我们计算了石墨烯片材上的氩原子轰击。结果表明,轰击对石墨烯片的破坏不仅取决于入射能,还取决于氩原子的粒子密度。为了比较和分析氩原子轰击中入射能和粒子密度的影响,我们通过分析结构的林德曼指数并计算破孔,定义了入射能量和粒子密度对石墨烯片的影响因子。工作表的面积。结果表明,破坏石墨烯片存在临界入射能量和颗粒密度,并且氩原子轰击石墨烯片上入射能量和颗粒密度的影响均存在指数累积损伤。我们的结果为潜在的具有高粒子辐射的基于石墨烯的电子设备的制造提供了一些有价值的力学参数。

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