Abstract-The effect of temperature, defect and strain rate on the mechanical property of multi-layer graphene: coarse-grained molecular dynamics study

Hui Li^a,Hong Zhang^{b, c,} ,Xinlu Cheng^{a, c}

• ^a Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
• ^b College of Physical Science and Technology, Sichuan University, China, Chengdu 610065,China
• ^c Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu, 610064, China

http://www.sciencedirect.com/science/article/pii/S1386947716305173

In this work, we investigate the effect of temperature, defect, and strain rate on the mechanical properties of multi-layer graphene using coarse-grained molecular dynamics (CGMD) simulations. The simulation results reveal that the mechanical properties of multi-layer graphene tend to be less sensitive to temperature as the layer increases, but they are sensitive to the distribution and coverage of Stone-Wales (SW) defects. For the same number of defect, there is less decline in the fracture stress and Young's modulus of graphene when the defects have a regular distribution, in contrast to random distribution. In addition, Young's modulus is less influenced by temperature and defect, compared to fracture stress. Both the fracture stress and Young's modulus have little dependence on strain rate.