Molecular dynamics study of interfacial mechanical behavior between asphalt binder and mineral aggregate

Xu, Guangji; Wang, Hao

doi:10.1016/j.conbuildmat.2016.05.167

Cited by 151 publications

(37 citation statements)

References 35 publications

(40 reference statements)

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“…They found that that the intermolecular gaps can be filled by naphthene aromatics, and molecular micelles can be lubricated by saturates. Xu and Wang [13,14] used MD to study thermodynamic and cohesive properties of asphalt binder, such as density, solubility parameter, cohesive energy density, and surface free energy. They analyzed the adhesion properties by calculating the interaction energy and the work of adhesion at asphalt-aggregate interface for the first time.…”

Section: Introductionmentioning

confidence: 99%

Molecular Simulation of Minerals-Asphalt Interfacial Interaction

2018

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The interfacial interaction between asphalt binder and mineral aggregate makes different components have different diffusion behavior. It influences the performance of interface and consequently that of the mix. In this research, the models of four asphalt components (asphaltene, resin, aromatics and saturate) and five minerals were constructed individually, and then the Al 2 O 3-asphalt interface model was constructed by adding the asphalt layer and mineral layer together. The interfacial behavior at molecular scale was simulated by setting boundary conditions, optimizing the structure and canonical ensemble. The mean square displacement (MSD) and diffusion coefficient of particles were selected as indicators to study the diffusion of asphalt components on the surface of Al 2 O 3. The results show that when the temperature was 65 • C, asphalt binder showed more viscosity, the diffusion speed of asphalt components ranked according to their molecular mass, which was saturate > aromatics > resin > asphaltene. At 25 • C and 165 • C, the resin had the fastest diffusion speed, which was nearly twice of asphaltene. The interaction between asphalt components and Al 2 O 3 mineral surface can make the diffusion of asphalt components independent on temperature.

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Section: Introductionmentioning

confidence: 99%

Molecular Simulation of Minerals-Asphalt Interfacial Interaction

2018

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“…Some effective application of cohesive zone modelling for investigating interfacial behaviour has been reported in literature [73][74][75][76][77][78]. Here, the atomic movement and local stress distribution near the interface between NC Ni and FeNiCr alloy during creep have been calculated using traction and separation method [79].…”

Section: Study Of Atomic Displacement and Average Local Stress At Intmentioning

confidence: 99%

Structural evaluation and deformation features of interface of joint between nano-crystalline Fe–Ni–Cr alloy and nano-crystalline Ni during creep process

Pal

Meraj

2016

Materials & Design

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“…Nevertheless, acidic aggregates have not been used, although they may employ a different model. Xu et al [27] also modeled the interface between silica and asphalt, where interfacial failure was primarily attributed to bonding failure, based on the tensile simulation carried out. Meanwhile, Yao et al [28] focused on the bonding performances between aggregates and aging asphalts, where the aging group of carboxylic acid was able to reinforce the bonding energy.…”

Section: Introductionmentioning

confidence: 99%

Development of Interfacial Adhesive Property by Novel Anti-Stripping Composite between Acidic Aggregate and Asphalt

Zhang

Qiu

Zhao³

et al. 2020

Polymers

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Studies on control of and preventive measures against asphalt pavement moisture damage have important economic and social significance due to the multiple damage and repair of pavements, the reasons for which include the poor interfacial adhesive ability between acidic aggregates and asphalts. Anti-stripping agent is used in order to improve the poor adhesion, and decomposition temperature is regarded as being important for lots of anti-stripping products, because they always decompose and lose their abilities under the high temperature in the mixing plant before application to the pavement. A novel anti-stripping composite, montmorillonoid/Polyamide (OMMT/PAR), which possesses excellent thermal stability performance and is effective in preventing moisture damage, especially for acidic aggregates, was prepared. Moreover, the modification mechanisms and pavement properties were also investigated with reference to the composites. The results show that OMMT/PAR was prepared successfully, improving the interfacial adhesion between the acidic aggregate and the modified asphalt. Due to the nanostructure of OMMT/PAR, the thermal stability was enhanced dramatically and the interfacial adhesion properties were also improved. Furthermore, asphalts modified with OMMT/PAR and their mixtures showed excellent properties. Finally, the moisture damage process and the mechanisms by which OMMT/PAR improves the interfacial adhesion properties are explained through adhesion mechanism analyses.

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Molecular dynamics study of interfacial mechanical behavior between asphalt binder and mineral aggregate

Cited by 151 publications

References 35 publications

Molecular Simulation of Minerals-Asphalt Interfacial Interaction

Molecular Simulation of Minerals-Asphalt Interfacial Interaction

Structural evaluation and deformation features of interface of joint between nano-crystalline Fe–Ni–Cr alloy and nano-crystalline Ni during creep process

Development of Interfacial Adhesive Property by Novel Anti-Stripping Composite between Acidic Aggregate and Asphalt

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