Chu Liu, Shi Jiajia, Souza de Cursi Eduardo
School of Transportation, Nantong University, Nantong 226019, China.
Département Mécanique, Institut National des Sciences Appliquées de Rouen, 76801 Rouen, France.
Nanomaterials (Basel). 2018 Jul 2;8(7):489. doi: 10.3390/nano8070489.
The stochastic distributed placement of vacancy defects has evident effects on graphene mechanical property, which is a crucial and challenged issue in the field of nanomaterial. Different from the molecular dynamic theory and continuum mechanics theory, the Monte Carlo based finite element method (MC-FEM) was proposed and performed to simulate vibration behavior of vacancy defected graphene. Based on the Monte Carlo simulation, the difficulties in random distributed location of vacancy defects were well overcome. The beam element was chosen to represent the exact atomic lattice of the graphene. The results of MC-FEM have a satisfied agreement with that in the reported references. The natural frequencies in the certain vibration mode were captured to observe the mechanical property of vacancy defected graphene sheets. The discussion about the parameters corresponding with geometry and material property was accomplished by probability theory and mathematical statistics.
空位缺陷的随机分布对石墨烯的力学性能有显著影响，这是纳米材料领域一个关键且具有挑战性的问题。与分子动力学理论和连续介质力学理论不同，提出并采用了基于蒙特卡洛的有限元方法（MC-FEM）来模拟有空位缺陷的石墨烯的振动行为。基于蒙特卡洛模拟，很好地克服了空位缺陷随机分布位置的困难。选择梁单元来代表石墨烯精确的原子晶格。MC-FEM的结果与已发表参考文献中的结果具有良好的一致性。捕捉了特定振动模式下的固有频率，以观察有空位缺陷的石墨烯片的力学性能。通过概率论和数理统计完成了与几何和材料性能相关参数的讨论。
