A theoretical evaluation of the temperature and strain-rate dependent fracture strength of tilt grain boundaries in graphene

Based on molecular dynamic simulations, we investigate the effects of temperature and strain rate on the strength of single layer graphene with tilt grain boundaries under tension. The simulation results show that temperature plays an important role in the strength of graphene with grain boundaries. The strength of graphene with grain boundaries decreases significantly as temperature increases. In particular, we confirm a previous report that graphene with large angle tilt boundaries (which has a high density of defects) may be much stronger than that with low angle boundaries. This finding holds true for temperatures from 10 to 1800 K and strain rates from 0.0001 to 0.01 ps(-1).