Review of interfacial adhesion between asphalt and aggregate based on molecular dynamics

• Published in: Construction & building materials Vol. 362; p. 129642
• Main Authors: Xu, Jia-yun, Ma, Biao, Mao, Wei-jie, Si, Wei, Wang, Xiaoqing
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 02.01.2023
• Subjects: Asphalt–aggregate interface; Interface adhesion mechanism; Molecular dynamics; Molecular model; Molecular dynamics; Interface adhesion mechanism; Asphalt–aggregate interface; Molecular model
• ISSN: 0950-0618; 1879-0526
• DOI: 10.1016/j.conbuildmat.2022.129642

•This study reviews the research status of molecular dynamics simulation of the asphalt–aggregate interface, including modeling, evaluation index, influencing factors, and interface improvement.•This paper discusses the typical asphalt binders and asphalt–aggregate interface models with different compositions.•This paper summarizes the advantages and disadvantages of using the molecular dynamics simulation method in the study of the asphalt–aggregate interface.•The findings of this study can serve as a guide for subsequent research on molecular models of asphalt. 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 the properties and behavior of an asphalt-aggregate interface. Asphalt-aggregate interface is the bridge hub between asphalt and aggregate, and its lousy interaction is closely related to pavement cracking, water damage, permanent deformation, and other diseases. Therefore, it is necessary to study the asphalt-aggregate interface for the maintenance and application of asphalt pavement. This study reviews the research status of molecular dynamics simulation of the asphalt–aggregate interface, including modeling, evaluation index, influencing factors, and interface improvement. This paper discusses the typical asphalt binders and asphalt–aggregate interface models with different compositions, which is a key part of the simulation design, as well as their differences with real samples and the feasibility based on basicity and quality. Studies on the molecular model are reviewed and discussed with respect to their classification. This paper summarizes the advantages and disadvantages of using the molecular dynamics simulation method in the study of the asphalt–aggregate interface. The results show that molecular dynamics has a broad application prospect in studying the interface. The research results of this paper can provide reference and guidance for subsequent scholars to study further the behavior of asphalt-aggregate interface by molecular dynamics method and also provide a reference for the study of the polymer-solid interface.