Molecular dynamics simulation on bulk bitumen systems and its potential connections to macroscale performance: Review and discussion

Molecular dynamics (MD) simulation plays an effective role in predicting the critical properties and explaining the macroscale phenomenon at the nanoscale. This review summarized the application cases of MD simulations in various bitumen systems, considering aging, modification, and rejuvenation factors. Meanwhile, the potential relationships...

Quantifying oxygen diffusion in bitumen films using molecular dynamics simulations

Bitumen in asphalt pavements reacts slowly with atmospheric oxygen, resulting in oxidative ageing. This oxidative reaction is strongly dependent on the physical diffusion of the oxygen into the bitumen. This study aims to use molecular dynamics (MD) simulation to investigate the oxygen diffusion into the bitumen film and analyse the effects...