Review of interfacial adhesion between asphalt and aggregate based on molecular dynamics

J Xu, B Ma, W Mao, W Si, X Wang - Construction and Building Materials, 2023 - Elsevier
Asphalt materials are uneven and complex organic matter, and the properties of asphalt–
aggregate interfaces are also complex. This makes it difficult for researchers to understand …

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, 2024 - 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 …

Adhesion failure mechanism of asphalt-aggregate interface under an extreme saline environment: A molecular dynamics study

Y Zou, Y Gao, A Chen, S Wu, Y Li, H Xu, H Wang… - Applied Surface …, 2024 - Elsevier
The extreme saline environment seriously threatens the service life of asphalt pavement.
The interface adhesion failure between asphalt and aggregate is fundamental to pavement …

Operando FTIR-ATR with molecular dynamic simulations to understand the diffusion mechanism of waste tire-derived pyrolytic oil for asphalt self-healing

GR Quezada, C Solar, JH Saavedra, K Petit… - Fuel, 2024 - Elsevier
Recent research proves that pyrolytic oils from waste tires are effective in restoring the
chemical and rheological properties of aged asphalt binders. Nonetheless, the role of oil …

Damage on asphalt surfaces caused by ionic solution erosion and salt crystallization at molecular scale

Y Tang, Z Fu, P Zhao, F Ma, Y Hou - Applied Surface Science, 2024 - Elsevier
The damage mechanism of severe salt corrosion on asphalt surfaces should be revealed at
molecular scale. This study utilized molecular dynamics (MD) and density functional theory …

Properties of polymer modified asphalt by polyphosphoric acid through molecular dynamics simulation and experimental analysis

Z Fu, Y Tang, C Peng, F Ma, C Li - Journal of Molecular Liquids, 2023 - Elsevier
Polyphosphoric acid (PPA) plays an important role in improving the performance of polymer
modified asphalt binders. This study aims to understand the modification mechanism of PPA …

[HTML][HTML] Water diffusion mechanisms in bitumen studied through molecular dynamics simulations

L Ma, HS Salehi, R Jing, S Erkens, TJH Vlugt… - … and Building Materials, 2023 - Elsevier
Water transport is one of the major factors responsible for moisture damage in asphalt
pavements. To study the thermodynamics and kinetics of water transport in bitumen and to …

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 …

Diffusion mechanism explorations on the sustainable warm mix asphalt and synchronous rejuvenated SBS-modified asphalt binder using the free volume theory

P Xu, D Zhang, Z Liu, F Wang, D Luan - Sustainable Materials and …, 2024 - Elsevier
The blending degree, dominated by the diffusion process between virgin and rejuvenated
asphalt, profoundly affects the performance of recycled mixtures. However, research on the …

Molecular dynamics simulation insights into rejuvenating aged asphalt with waste soybean oil and polymers

K Shi, F Ma, Z Fu, J Liu, R Song, D Yuan… - Construction and Building …, 2024 - Elsevier
This study utilized molecular dynamics simulations to assess the rejuvenation of aged
asphalt (AA) with waste soybean oil (WSO) and functionalized SBS polymers, focusing on …