Molecular dynamics simulation and experimental investigation on the adhesion property of recycled mastic-aggregate interface

Li, Bo, Yang, Manbin, Wang, Yaping, Guo, Fucheng, Wang, Haopeng ORCID: 0000-0002-5008-7322, Li, Andi, Han, Jihong and Zhang, Yunpeng (2025) Molecular dynamics simulation and experimental investigation on the adhesion property of recycled mastic-aggregate interface Construction and Building Materials, 459. p. 139648. ISSN 0950-0618, 1879-0526

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Abstract

The performance of asphalt mixtures mainly depends on the interface between the aggregate and asphalt mastic. This study utilizes surface free energy (SFE) tests, atomic force microscopy (AFM) tests, and molecular dynamics (MD) simulations to explore the influence of the interactions among asphalts, rejuvenators, and mineral powders on the interface adhesion properties of recycled asphalt mastic-aggregate, with a particular focus on the impact of mineral powders. The Pearson correlation coefficient links the SFE micro-scale and AFM nano-scale experimental research with MD simulations and establishes the functional relationships among them. The results indicate that adding mineral powder to recycled asphalt improves the adhesion between the recycled asphalt mastic and the aggregate by increasing the dispersion component, reducing the polar component, and enhancing the interfacial electrostatic interactions. Moreover, the addition of mineral powder causes the nano-adhesion force of the recycled asphalt mastic to raise significantly by 28 % compared to that of the recycled asphalt. The polar components of the rejuvenator restore the adhesion of the aged asphalt and interact with the mineral powder to help reduce water damage. Furthermore, mineral powder and moisture infiltration affect the aggregation and arrangement of asphalt components around the aggregate surface. This work emphasizes that MD simulations can reliably predict the adhesion behaviors of recycled asphalt mastic-aggregate, providing valuable insights for sustainable pavement practices.

Item Type:	Article
Uncontrolled Keywords:	Recycled asphalt mastic-aggregate interface, Adhesion property, SFE test, AFM test, MD simulation, Aggregation and distribution characteristics
Divisions:	Faculty of Science & Engineering Faculty of Science & Engineering > School of Engineering Faculty of Science & Engineering > School of Engineering > Civil and Environmental Engineering
Depositing User:	Symplectic Admin
Date Deposited:	14 Nov 2025 09:09
Last Modified:	28 Feb 2026 04:04
DOI:	10.1016/j.conbuildmat.2024.139648
Related Websites:	Author Publisher
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3195387
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