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 …

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 …

Perspectives on the Application of Waste Materials in Asphalt Based on Molecular Dynamics Simulations: A Review

H Yao, J Zeng, J Liu, Y Wang, X Li, Q Dai, Z You - Energy & Fuels, 2024 - ACS Publications
During the last few decades, industrial waste has increased at an alarming rate, and the
recycling of waste materials has always been an urgent problem to be solved. While the …

Self-healing behavior of rubberized asphalt modulated by the degradation of crumb tire rubber

S Wang, H Wang, H Yao, Z ul Haq, S Wang - Construction and Building …, 2024 - Elsevier
The self-healing ability of rubberized asphalt, especially at low-temperatures, plays a vital
role in extending the durability of pavements. Despite the wide use of rubberized asphalts …

[HTML][HTML] Solubility Characteristics and Microstructure of Bitumen: A Review

H Liu, H Ding, Y Qiu, H Grothe - Buildings, 2025 - mdpi.com
This is a comprehensive review of the significance of solubility theories, internal stability,
and external compatibility within petroleum science and pavement engineering. The …

Evaluation of the microcapsules on the rheological and self-healing performance of asphalt

Y Wen, F Ma, Z Fu, C Li, K Shi, J Dai, C Zhu - Construction and Building …, 2023 - Elsevier
The objective of this study was to prepare microcapsules and investigate their impact on the
self-healing properties of asphalt. Microcapsules with various core–shell ratios were …

Evaluation of styrene butadiene rubber asphalt modification mechanism and adhesion effect based on molecular simulation

T Xie, Z He, H Yu, Y Ma, C Shi, C Zhang, J Ge, W Dai - Fuel, 2024 - Elsevier
Recycled rubber materials represent an environmentally sustainable option as asphalt
modifiers. This research delves into the modification effects of Styrene Butadiene Rubber …

Analyzing moisture diffusion in the interface between rubber-modified asphalt and aggregate: A 3D study considering multiple influencing factors

S Chen, S Chen, J Jin, X Zhou, X Zhang - Construction and Building …, 2024 - Elsevier
Moisture erosion is inevitable at the interface between rubber-modified asphalt and
aggregate. When moisture penetrates the interface through diffusion, it causes varying …

Diffusion behavior of phase change materials at the interface of aged asphalt binder based on molecular dynamics simulation and experimental analysis

Y Hou, F Ma, Z Fu, J Dai, Y Tang, T Wang… - Journal of Molecular …, 2024 - Elsevier
To investigate the diffusion behavior of phase change materials (PCMs) in differently aged
asphalts during leakage and their impact on asphalt performance, this study focuses on …

Molecular-atomic scale insights into polymer-asphalt interactions induced by the oxidation of reactive oxygen species via computational simulation and multifield …

M Hu, D Sun, X Zhu, G Sun, B Hofko, J Mirwald… - Journal of Molecular …, 2024 - Elsevier
The objective of this study is to investigate the intermolecular interactions between polymers
and asphalt components due to the oxidation of reactive oxygen species (ROS). Quantum …