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 of anti-ageing compounds (AACs) on the oxygen diffusion. The MD diffusion simulations using a Polymer Consistent Force Field (PCFF) were conducted on a bitumen-air bi-layer model at different temperatures. Fick's second law was used to calculate the diffusion coefficient of the oxygen in the bitumen film. It is found that the oxygen diffusion coefficients ranged from 6.67 × 10⁻¹⁰ to 7.45 × 10⁻¹¹ m²/s for the unmodified and AAC-modified bitumens at the simulating temperatures of 25, 50 and 100 °C. Irganox acid and DLTDP (Dilauryl thiodipropionate):furfural showed two different anti-aging mechanisms, i.e., reducing the oxygen physical diffusion and controlling the chemical oxidative reaction. Reducing the oxygen diffusivity by constructing a network in the bitumen to retard oxygen diffusion and increase the transport path is an efficient way to slow down the bitumen aging without the antioxidant consumption. This work proposed a MD-based computational approach, contributing to 1) determination of the oxygen diffusion coefficient of the existing bitumen that is extremely challenging for the experimental measurement and 2) instruction of developing new antioxidant.

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

The pore-water pressure generated by intermittent dynamic vehicle loading under various saturation states is recognized as a critical factor influencing the behaviour of permeable pavement structures, especially the behaviour of UGB layer. However, the underlying mechanisms of hydro-mechanical interaction in the UGB layer and the influence on the pavement structure are still unclear. This study aims to characterize the changes in dynamic response in permeable pavement structures under various saturation conditions by considering the hydro-mechanical interaction within the UGB layer. To achieve this objective, a full-scale test track with a PUPM wearing course was constructed. Pressures and water distribution were characterized by embedded sensors within different layers of the test track when subjected to the accelerating pavement test. Based on the coupled SAME model, the water distribution and the dynamic response of UGB in the rainfall events were both characterised and solved by FEM. The results predicted by the proposed SAME model correspond to the field measurements, and the influence of the water content on the resilient modulus distribution within the UGB layer was then estimated. Based on the predictions for the stress state of the UGB layer, the sensitivity analysis was also proposed.

Permeable pavements have been widely used as an effective means to improve hydrological characteristics and the ecology of the urban environment. This study aims to investigate the response of fully permeable pavement (FPP) subjected to dynamic loading under dry and saturated conditions. A full-scale test track topped with polyurethane bound permeable material (PUPM) was built to obtain the stress response with an accelerated pavement test (APT) system. In addition, comprehensive analyses were performed based on the coupled Stress-dependent Moisture-sensitive Cross-anisotropic Elastoplastic (SMAEP) model in FEM. The APT test showed that the worst state was observed when the pavement structure was fully saturated, and that and brittle failure of the pavement surface occurred when the critical load level was achieved. The prediction of vertical stress predicted by Stress-dependent Cross-anisotropic Elastic (SAE) and SMAEP were both validated with the field data. The horizontal stress predicted by SAE gave a very high and unreasonable tensile stress prediction at the bottom of the unbounded granular base (UGB) layer when subjected to the high load level. With the consideration of moisture effect and the plastic properties of the material, the prediction made by SMAEP is effective to estimate the dynamic response of the UGB layer. Based on the sensitivity analysis, the optimized designs for FPP based on PUPM were suggested.