[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, 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 …

[HTML][HTML] Molecular dynamics simulation on bulk bitumen systems and its potential connections to macroscale performance: Review and discussion

S Ren, X Liu, P Lin, Y Gao, S Erkens - Fuel, 2022 - Elsevier
Molecular dynamics (MD) simulation plays an effective role in predicting the critical
properties and explaining the macroscale phenomenon at the nanoscale. This review …

Study of the inter-diffusion characteristics and cracking resistance of virgin-aged asphalt binders using molecular dynamics simulation

B Cui, H Wang, X Gu, D Hu - Construction and Building Materials, 2022 - Elsevier
To investigate the inter-diffusion characteristics and cracking resistance of blended asphalt
binders, the virgin-aged asphalt models were developed through the molecular dynamics …

[HTML][HTML] Nanostructure and damage characterisation of bitumen under a low cycle strain-controlled fatigue load based on molecular simulations and rheological …

Y Gao, X Liu, S Ren, EI Assaf, P Liu, Y Zhang - Composites Part B …, 2024 - Elsevier
Bitumen fatigue resistance is critical to determine the overall fatigue performance and
service life of asphalt pavements. However, the mechanisms responsible for fatigue damage …

[HTML][HTML] Cross-scale analysis of asphalt binder tensile fracture using molecular dynamics simulation

B Cui, H Wang - Construction and Building Materials, 2024 - Elsevier
The tensile failure behavior of asphalt binder is crucial for longevity and durability of asphalt
concrete, which is one of most common infrastructure materials. This study provides a cross …

Recycling waste engine oil as a viscosity reducer for asphalt rubber: an insight from molecular dynamics simulations and laboratory tests

H Li, Q Zhao, Z Feng, F Zhang, X Zou - Environmental Science and …, 2023 - Springer
Traditional asphalt rubber (AR) has a high viscosity and poor fluidity, which makes its
construction very difficult. Reducing viscosity has been identified as one of the effective way …

[HTML][HTML] Towards critical low-temperature relaxation indicators for effective rejuvenation efficiency evaluation of rejuvenator-aged bitumen blends

S Ren, X Liu, S Erkens - Journal of Cleaner Production, 2023 - Elsevier
The relaxation behavior affected by aging and rejuvenation plays a crucial role in its low-
temperature cracking potential of bitumen. However, there are limited studies on the …

In silico simulation study on moisture-and salt water-induced degradation of asphalt concrete mixture

I Jeon, J Lee, T Lee, T Yun, S Yang - Construction and Building Materials, 2024 - Elsevier
The moisture-and salt water-induced degradation of asphalt concrete molecular systems
was investigated via molecular dynamics simulations. To establish the microstructure-to …

Investigation of factors affecting modified asphalt binder development and performance using the poker chip test

A Vyas, Y Wang, R Hajj, E Jahns - Construction and Building Materials, 2023 - Elsevier
With the surge in the use of modified asphalt binders throughout the world, it is important to
examine these materials for performance outside of their linear viscoelastic (LVE) range …