重离子辐照下石墨烯力学性能的分子动力学研究

The influence of ion irradiation on graphene's mechanical properties was investigated using molecular dynamics simulations (MD) including Young's modulus, stress and strain. Incident ions were C ions with 1 keV, and the situations under different incident doses were studied, including 2.00×10¹³, 6.01×10¹³, 1.00×10¹⁴ and 2.00×10¹⁴ cm^-2, respectively. The results show that defects, such as single, double vacancies and complex defects, are introduced by bombardment. They have a great effect on graphene's mechanical properties, for example, two single vacancies can make Young's modulus decreasing from 780.19 GPa to 128.77 GPa, and stress from 161.81 GPa to 30.85 GPa, compared with perfect graphene. The more defects in graphene, the effect will be greater. In addition, the physical mechanism of graphene's deformation and cracking was taken over.