[HTML][HTML] State of the art: Multiscale evaluation of bitumen ageing behaviour

Y Hu, W Si, X Kang, Y Xue, H Wang, T Parry, GD Airey - Fuel, 2022 - Elsevier
Ageing is a common phenomenon that seriously affects the performance and service life of
asphalt pavements. In this paper, multiscale evaluations of bitumen ageing behaviour were …

[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 …

Moisture effect on nanostructure and adhesion energy of asphalt on aggregate surface: A molecular dynamics study

W Sun, H Wang - Applied Surface Science, 2020 - Elsevier
This study aims at investigating the moisture effect on nanostructure and adhesive energy of
asphalt-aggregate interface in asphalt mixture at atomistic scale. Molecular Dynamics (MD) …

Oxidative aging mechanism of asphalt binder using experiment-derived average molecular model and ReaxFF molecular dynamics simulation

B Cui, H Wang - Fuel, 2023 - Elsevier
Oxidative aging in asphalt binders has significant negative impacts on asphalt pavement
performance. This study investigated oxidative aging of virgin asphalt binder based on …

Molecular dynamics modeling and simulation of bituminous binder chemical aging due to variation of oxidation level and saturate-aromatic-resin-asphaltene fraction

F Fallah, F Khabaz, YR Kim, SR Kommidi… - Fuel, 2019 - Elsevier
Bituminous binder's chemical aging process leads to significant changes in its mechanical
and rheological properties. The two main outcomes of chemical aging are the oxidation of …

Study on the mechanical properties of rubber asphalt by molecular dynamics simulation

F Guo, J Zhang, J Pei, B Zhou, Z Hu - Journal of molecular modeling, 2019 - Springer
Introducing the crumb rubber into asphalt binder not only can improve the performances of
asphalt binder significantly but also can recycle the waste tire economically. However …

Unveiling micro-macro links in asphalt: An in-depth analysis of characterization and simulation approaches

H Zhang, F Zheng, J Zhang, D Hu, X Yu, Z Chen, J Pei - Fuel, 2025 - Elsevier
Examining the intricate relationship between micro-components and macro-performance
represents a pivotal focus within asphalt materials research. This review offers a …

Experimental and molecular dynamics simulation study on thermal, transport, and rheological properties of asphalt

L You, T Spyriouni, Q Dai, Z You, A Khanal - Construction and Building …, 2020 - Elsevier
The purpose of this study was to evaluate the thermal (glass transition temperature),
transport (self-diffusion), and rheological (viscosity, storage and loss modulus) properties of …

[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 …

Molecular dynamics simulation of diffusion coefficients between different types of rejuvenator and aged asphalt binder

W Sun, H Wang - International Journal of Pavement Engineering, 2020 - Taylor & Francis
This study developed molecular dynamics (MD) models to investigate the diffusion
behaviour of rejuvenator with aged binder. Four types of rejuvenators, straight saturate …