In recent years, the employment of rejuvenators and warm mix asphalt (WMA) additives for reclaimed asphalt pavement (RAP) has been recognized as a popular approach to increase the recycling rate of waste materials and promote the sustainable development of pavement engineering. However, the composition of warm mix recycled asphalt binder is complicated, and the microstructural changes brought about by the rejuvenators and WMA additives are critical in determining its macroscopic mechanical properties. This research focuses on the atomic modeling of the rejuvenators and WMA additives diffusion ...