Modeling percentages of cohesive and adhesive debonding in bitumen-aggregate interfaces using molecular dynamics approaches

• Molecular pull-off simulation of bitumen-aggregate interface was performed. Cohesive debonding percentage rises with bitumen film thickness and temperature. Less cohesive more adhesive occur at higher velocities. Stronger alkaline minerals are prone to have debonding. When an asphalt mixture cracks, occurs along bitumen-mineral interfaces within films. At microscale, the two processes can happen simultaneously but it is unknown for their percentages. This study aims determine percentages investigate how material external factors affect these using molecular dynamics (MD) modeling. The simulations bitumen-calcite were performed different thicknesses, velocities temperatures. calculated as area ratio remained molecules over total interface. Results show that increases from 29% 65% thicker films, decreases 86% 59% loading temperature rises, 61.3% 88.2%. Quartz presents a weak adhesion bitumen, thus complete (100%) regardless thickness. Microcline shows very strong due its high polarity. modeled variables verified found consistent laboratory testing results available existing studies.