Molecular dynamics simulation of tensile failure of asphalt binder

This study proposed an innovative computer modeling method to investigate tensile strength and cohesive crack of asphalt binder using Molecular Dynamics (MD) simulation. The tensile stress-strain curve was obtained from MD simulations and fracture properties were calculated using cohesive zone models. The result showed that the effect of loading rate on cohesive failure properties was not significant, which agreed with previous experiment findings. The increase of temperature reduced tensile strength but increased fracture toughness of asphalt binder. The simulation results suggest the potential of MD simulation in studying chemo-mechanical link of asphalt binder.