[HTML][HTML] New innovations in pavement materials and engineering: A review on pavement engineering research 2021

JE Office, J Chen, H Dan, Y Ding, Y Gao, M Guo… - Journal of Traffic and …, 2021 - Elsevier
Sustainable and resilient pavement infrastructure is critical for current economic and
environmental challenges. In the past 10 years, the pavement infrastructure strongly …

Discussion on molecular dynamics (MD) simulations of the asphalt materials

H Yao, J Liu, M Xu, J Ji, Q Dai, Z You - Advances in Colloid and Interface …, 2022 - Elsevier
The application of asphalt materials in pavement engineering has been increasingly
widespread and sophisticated over the past several decades. Variations in the properties of …

Chemical compositions of improved model asphalt systems for molecular simulations

DD Li, ML Greenfield - Fuel, 2014 - Elsevier
New chemical compositions of model asphalts to represent the AAA-1, AAK-1 and AAM-1
asphalts of the Strategic Highway Research Program are proposed to enable molecular …

Towards an understanding of diffusion mechanism of bio-rejuvenators in aged asphalt binder through molecular dynamics simulation

H Ding, H Wang, X Qu, A Varveri, J Gao… - Journal of Cleaner …, 2021 - Elsevier
The use of reclaimed asphalt pavement (RAP) is a hot research topic in the field of road
engineering, as there are still many issues to overcome so as to become standard …

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 …

A multiphysics evaluation of the rejuvenator effects on aged asphalt using molecular dynamics simulations

B Cui, X Gu, D Hu, Q Dong - Journal of Cleaner Production, 2020 - Elsevier
The rejuvenator effects on aged asphalt are easily influenced by multiple physical conditions
such as ultraviolet irradiation, overheating and water exposure. In this study, a multiphysics …

Simulation of asphaltene aggregation through molecular dynamics: Insights and limitations

TF Headen, ES Boek, G Jackson, TS Totton… - Energy & …, 2017 - ACS Publications
We report classical atomistic molecular dynamics simulations of four structurally diverse
model asphaltenes, a model resin, and their respective mixtures in toluene or heptane under …

MCCCS Towhee: a tool for Monte Carlo molecular simulation

MG Martin - Molecular Simulation, 2013 - Taylor & Francis
The history of the Monte Carlo for complex chemical systems Towhee open source Monte
Carlo molecular simulation tool is discussed. A proof is given that the Widom insertion …

[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 …

Intrinsic temperature sensitive self-healing character of asphalt binders based on molecular dynamics simulations

D Sun, G Sun, X Zhu, F Ye, J Xu - Fuel, 2018 - Elsevier
The molecular dynamics (MD) simulation was used in this study to explain the microscopic
process of asphalt self-healing and investigate the influence of temperature on the self …