[HTML][HTML] Review on the diffusive and interfacial performance of bituminous materials: From a perspective of molecular dynamics simulation

S Ren, X Liu, P Lin, Y Gao, S Erkens - Journal of Molecular Liquids, 2022 - Elsevier
The cohesive and adhesive performances of bituminous materials significantly affect the
service life of asphalt pavement. The molecular dynamics (MD) simulation method has been …

Molecular dynamics simulation of adhesion at the asphalt-aggregate interface: a review

Y Tang, Z Fu, G Raos, F Ma, P Zhao, Y Hou - Surfaces and Interfaces, 2023 - Elsevier
Interfacial adhesion at the molecular level is a complex process, where the key players
(asphalt, aggregates, water, and air) are in a dynamic state of structural equilibrium, varying …

Bio-modified rubberized asphalt binder: A clean, sustainable approach to recycle rubber into construction

L Lyu, J Pei, D Hu, G Sun, EH Fini - Journal of Cleaner Production, 2022 - Elsevier
This paper introduces a hybrid utilization of scrap tires and bio-oil made from biomass waste
to create bio-modified rubberized asphalt for use in roadway construction. This in turn …

Atomic mechanisms of separation failure at the asphalt–aggregate interface and its dependence on aging and rejuvenation: Insights from molecular dynamics …

D Hu, X Gu, F Yang, Z Zhou, W Bo, B Cui, J Pei - Applied Surface Science, 2022 - Elsevier
The microscopic interfacial properties between asphalt and aggregates determine the
macroscopic cracking behaviors of asphalt mixtures. To provide guidance on durability …

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

S Ren, X Liu, P Lin, S Erkens, Y Xiao - Construction and Building Materials, 2021 - Elsevier
To further explore the long-term aging behaviors of bitumen from the multiscale
perspectives, the experimental characterization and molecular dynamics (MD) simulation …

Effect of water molecular behavior on adhesion properties of asphalt-aggregate interface

Y Tang, Z Fu, F Ma, P Zhao, Y Hou, X Jiang… - … and Building Materials, 2023 - Elsevier
Asphalt-aggregate interfaces are prone to damage by moisture, leading to a decrease in
interfacial adhesion. However, the precise mechanism governing water molecule behavior …

Interfacial characteristics of fiber asphalt mastic and aggregates: Impact on mixture crack resistance performance

Q Tang, P Xiao, K Lou, Y Wu - Construction and Building Materials, 2024 - Elsevier
The interfacial characteristics between fiber-modified asphalt mastics and aggregates play a
crucial role in the performance of asphalt mixtures. To explore these interfacial interaction …

Multiscale investigation on bitumen-aggregate interfacial debonding using molecular dynamics and finite element method

Z Fan, F Pan, L Sun, D Wang, P Liu - Construction and Building Materials, 2023 - Elsevier
Adhesive failure between bitumen and aggregates is the primary cause of cracking in
asphalt mixtures and pavement moisture damage. The resulting pavement distress poses a …

Investigation of graphite tailings as a substitute for filler in asphalt mastics

X Yang, Z Fan, J Xu, J Lin, Y He… - International Journal of …, 2023 - Taylor & Francis
As a solid waste, graphite tailings (GTs) have caused serious harm to the environment and
nearby residents, and using GTs as pavement materials can not only solve the …

Molecular dynamics study on the effect of mineral composition on the interface interaction between rubberized asphalt and aggregate

L Wang, L Zhang, Y Liu - Journal of Materials in Civil Engineering, 2022 - ascelibrary.org
In order to explore the effect of aggregate type on the interface interaction between
rubberized asphalt and aggregate, the representative molecules of base asphalt, rubberized …