Nanostructure and damage characterisation of bitumen under a low cycle strain-controlled fatigue load based on molecular simulations and rheological measurements

Bitumen fatigue resistance is critical to determine the overall fatigue performance and service life of asphalt pavements. However, the mechanisms responsible for fatigue damage of bitumen have previously not been well understood. Molecular dynamics (MD) simulation has recently emerged as a powerful computer-aided numerical technique to model...

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...

Chemo-physical characterization and molecular dynamics simulation of long-term aging behaviors of bitumen

To further explore the long-term aging behaviors of bitumen from the multiscale perspectives, the experimental characterization and molecular dynamics (MD) simulation methods were performed. Series of chemical properties for the virgin and various aged bitumen were evaluated using the TCL-FID, ATR-FTIR, Elemental analysis and GPC tests. The...

Multi-scale characterization of lignin modified bitumen using experimental and molecular dynamics simulation methods

Lignin, as a major waste from biofuel and paper industries, could be utilized as a modifier to enhance the relevant performance of bitumen. However, the effects of lignin on the thermodynamics properties and molecular structure of bitumen are rarely studied. Meanwhile, the potential modification mechanism of lignin modified bitumen is still...