Simulation studies on effect of temperature on uniaxial deformation of single atomic layer graphene (salg) sheet

Molecular dynamics (MD) simulation studies were carried out on a single atom layer graphene sheet to get an insight into the temperature dependent uniaxial deformation. Uniaxial deformation was performed on a 50 nm x 50 nm graphene sheet in zig-zag mode at a constant temperature and a constant engineering strain rate of 0.001 per second. It was observed that failure strain and ultimate stress at failure strain decreased with increasing temperature. Although the variation in mechanical properties with temperature was small, it became significantly large for 1200K and 1500K. The results have been validated using existing mathematical models.