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 …

Micro-characterization of the adhesion properties and mechanisms at the asphalt-silica aggregate interface under combined thermal-oxygen aging and chloride salt …

H Xie, Y Liu, Z Long, F Xu, L You, X Tang, C Zhu… - … and Building Materials, 2023 - Elsevier
In this investigation, various Atomic Force Microscopy (AFM) probes were used to
characterize changes in the adhesion properties of aged asphalt under different …

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 …

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 …

Multiscale investigation of waste soybean oil rejuvenated asphalt binder utilising experimental methodologies and molecular dynamics simulations

K Shi, Z Fu, J Liu, R Song, F Ma, J Dai… - International Journal of …, 2023 - Taylor & Francis
To demonstrate the rejuvenation effect of waste soybean oil (WSO) on aged asphalt binder
(AB) and realise the efficient combination of laboratory evaluation and numerical simulation …

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 …

Rejuvenation effect of aged SBS-modified asphalt utilizing molecule analysis

K Shi, F Ma, J Liu, Z Fu, R Song, D Yuan, C Li - Journal of Cleaner …, 2023 - Elsevier
The performance of styrene-butadiene-styrene modified asphalt (SBSMA) is significantly
impacted by its aging and regeneration. In this research, the molecular dynamics simulation …

Comprehensive properties assessment of asphalt binder under aqueous solutions with different pH values and its gradient damage behaviors

Y Zou, S Wu, A Chen, Q Liu, S Amirkhanian… - … and Building Materials, 2024 - Elsevier
This study characterized the morphology, high-temperature property, rheological property,
adhesion, cohesion, and chemical component of asphalt binder under aqueous solutions of …

[HTML][HTML] Moisture damage mechanism of asphalt mixtures containing reclaimed asphalt pavement binder: A novel molecular dynamics study

L Luo, SH Yang, M Oeser, P Liu - Journal of Cleaner Production, 2024 - Elsevier
Reclaimed asphalt pavement (RAP) stands at the forefront of sustainable practices in road
construction and rehabilitation. However, concerns regarding the moisture susceptibility of …