Molecular Dynamics Study on the Effect of Mineral Composition on the Interface Interaction between Rubberized Asphalt and Aggregate

Wang, Lan; Le, Zhang; Liu, Yang

doi:10.1061/(asce)mt.1943-5533.0004169

Cited by 22 publications

(3 citation statements)

References 43 publications

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“…It was found that a rising temperature drove water molecules to gather close to the steel slag surface but drove asphalt molecules away from steel slag molecules, which indicated a high risk of moisture damage. Wang et al [151] further discussed the effect of mineral composition on the interaction of the rubberized asphalt-aggregate interface.…”

Section: Simulation On Features Of the Asphalt-aggregate Interfacementioning

confidence: 99%

Review on Design, Characterization, and Prediction of Performance for Asphalt Materials and Asphalt Pavement Using Multi-Scale Numerical Simulation

Wang,

Wang

2024

Materials

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Asphalt pavement, which is mainly made up of the asphalt mixture, exhibits complicated mechanical behaviors under the combined effects of moving vehicle loads and external service environments. Multi-scale numerical simulation can well characterize behaviors of asphalt materials and asphalt pavement, and the essential research progress is systematically summarized from an entire view. This paper reviews extensive research works concerning aspects of the design, characterization, and prediction of performance for asphalt materials and asphalt pavement based on multi-scale numerical simulation. Firstly, full-scale performance modeling on asphalt pavement is discussed from aspects of structural dynamic response, structural and material evaluation, and wheel–pavement interaction. The correlation between asphalt material properties and pavement performance is also analyzed, and so is the hydroplaning phenomenon. Macro- and mesoscale simulations on the mechanical property characterization of the asphalt mixture and its components are then investigated, while virtual proportion design for the asphalt mixture is introduced. Features of two-dimensional and three-dimensional microscale modeling on the asphalt mixture are summarized, followed by molecular dynamics simulation on asphalt binders, aggregates, and their interface, while nanoscale behavior modeling on asphalt binders is presented. Finally, aspects that need more attention concerning this study’s topic are discussed, and several suggestions for future investigations are also presented.

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Section: Simulation On Features Of the Asphalt-aggregate Interfacementioning

confidence: 99%

Review on Design, Characterization, and Prediction of Performance for Asphalt Materials and Asphalt Pavement Using Multi-Scale Numerical Simulation

Wang,

Wang

2024

Materials

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“…From the current research, the research on the interface effect of asphalt mixtures mainly focuses on single-scale research and analyses of macroperformance and materials' microcharacteristics, but the multiscale and cross-scale research idea can better solve the mechanism problem of asphalt mixture performance. Many scholars have also carried out multiscale studies on different properties of asphalt and asphalt mixtures, including asphalt aging performance [23,24], the combination of old and new materials in recycled asphalt mixtures [25][26][27], the diffusion of modifiers [28,29], and the interaction between asphalt and aggregates [30,31]. A large number of studies have confirmed that the multiscale idea is feasible in the research of asphalt and asphalt mixtures.…”

Section: Introductionmentioning

confidence: 99%

A Multiscale Study of Moisture Influence on the Crumb Rubber Asphalt Mixture Interface

2022

Self Cite

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In order to study the influence of moisture on the interface of crumb rubber–asphalt (CR) mixture, the interface bonding performance and crack resistance of a crumb rubber–asphalt mixture under dry and wet conditions were studied at three scales. At the macroscale, the characteristics of medium temperature fatigue cracking and low temperature fracture were studied by semi-circular bending tensile test (SCB) on the example of digital image correlation (DIC) technique. At the microscale, the surface energy of CR with basalt and limestone was measured using the contact angle measurement test, and then the adhesion work was calculated and analyzed. At the molecular scale, the model of CR, the model of basalt representative mineral (augite) and limestone representative mineral (calcite) were studied by molecular dynamics simulation. The relationship between these three scales was further explored to reveal the mechanism of the damage of moisture on the interface deterioration of the CR mixture. The results show that moisture has a certain effect on the interface of the CR mixture, which is characterized by macroscopically reducing the crack resistance of the asphalt mixture, microscopically reducing the adhesion ability between the asphalt and the aggregate and weakening the interaction between the asphalt and aggregate molecules at the molecular scale. Molecular dynamics can accurately simulate the deterioration of micro asphalt-aggregate adhesion under the damage of moisture. The decrease in microadhesion leads to the decrease in the crack resistance of the macro-CR mixture.

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“…Analyzing the interaction between asphalt components and rubber at the molecular scale will help the development of methods to increase the amount of rubber [20]. In recent years, with the development of molecular simulation methods and the improvement of computer arithmetic power, there are more and more studies on the molecular dynamics simulation of CRMA binders [21,22]. For example, the diffusion and aggregation behaviors of rubber molecules in the asphalt were studied by calculating radial distribution functions (RDFs), mean square displacement (MSD), and diffusion coefficients.…”

Section: Introductionmentioning

confidence: 99%

Study on the Properties of Waste Oil-Activated Crumb Rubber-Modified Asphalt Based on Molecular Dynamics Simulation and Rheology

Liu

et al. 2022

Advances in Materials Science and Engineering

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To investigate the effect of activated crumb rubber content on the molecular interactions and the properties of crumb rubber-modified asphalt (CRMA) with waste oil, six models of asphalt with various rubber dosages were developed using Materials Studio software, and the molecular dynamics performance of the system was further examined. Then, the fatigue and high- and low-temperature performances of the CRMA binders were characterized by dynamic mechanical experiments in the laboratory. The mean square displacement and diffusion coefficient were used to quantify the migration of molecules. The aggregation state of the components was evaluated using a radial distribution function. The bulk modulus of the CRMA models was calculated to study the mechanical properties. Dynamic shear and bending beam rheometer tests were implemented to evaluate the road performances of the CRMA binders. The results show that increasing the amount of powder could improve the mechanical properties of the asphalt, that is, the modulus of 70% of the asphalt was improved by 57.5%. The rubber and waste oil were evenly dispersed in the system, and the distribution of asphalt components was in accordance with the colloid theory. The temperature-sensitive properties of the rubber led to the improvement of road properties of the CRMA binders with the increase of the admixture. Combined with the distribution of molecules in the asphalt model, the results of rheological indexes show that the waste oil could improve the rheology and stability of binders. This will provide theoretical support for upgrading the content of crumb rubber in CRMA binders.

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Molecular Dynamics Study on the Effect of Mineral Composition on the Interface Interaction between Rubberized Asphalt and Aggregate

Cited by 22 publications

References 43 publications

Review on Design, Characterization, and Prediction of Performance for Asphalt Materials and Asphalt Pavement Using Multi-Scale Numerical Simulation

Review on Design, Characterization, and Prediction of Performance for Asphalt Materials and Asphalt Pavement Using Multi-Scale Numerical Simulation

A Multiscale Study of Moisture Influence on the Crumb Rubber Asphalt Mixture Interface

Study on the Properties of Waste Oil-Activated Crumb Rubber-Modified Asphalt Based on Molecular Dynamics Simulation and Rheology

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