Molecular dynamics simulation of adhesion at the asphalt-aggregate interface: A review

Tang, Yujie; Fu, Zhen; Raos, Guido; Ma, Feng; Zhao, Peng; Hou, Yingjie

doi:10.1016/j.surfin.2023.103706

Surfaces and Interfaces

2024

DOI: 10.1016/j.surfin.2023.103706

|View full text |Cite

Molecular dynamics simulation of adhesion at the asphalt-aggregate interface: A review

Yujie Tang,

Zhen Fu,

Guido Raos

et al.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article5

Relationship

Self Cite0

Independent5

Authors

Journals

Cited by 6 publications

References 176 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Salt damage on asphalt surfaces under repeated dissolution at molecular scale

Tang,

Fu,

Hou

et al. 2024

Colloids and Surfaces A: Physicochemical and Engineering Aspect

View full text Add to dashboard Cite

Salt damage on asphalt surfaces under repeated dissolution at molecular scale

Tang,

Fu,

Hou

et al. 2024

Colloids and Surfaces A: Physicochemical and Engineering Aspect

View full text Add to dashboard Cite

Molecular-atomic scale insights into polymer-asphalt interactions induced by the oxidation of reactive oxygen species via computational simulation and multifield microscopy characterization

Hu,

Sun,

Zhu

et al. 2024

Journal of Molecular Liquids

View full text Add to dashboard Cite

Investigation of the nanostructure and nanomechanical properties of the interphase in carbon fiber reinforced polyamide-6 composite

Qi,

Jiang,

et al. 2024

Sci Rep

View full text Add to dashboard Cite

Carbon fiber reinforced polyamide-6 (CF/PA-6) composites have been widely applied in automobile, aerospace, and biomedical industries for their high mechanical properties, high thermal resistance and recyclability. On the purpose of finding ways to improve the interfacial properties, the investigation of the nanostructure and nanomechanical properties of the interphase in CF/PA-6 composites were essential. In this study, MD simulation was carried out to show the interfacial formation and nanostructure of the CF/PA-6 composite model directly at the atomic level and compute the radial distribution function, interfacial energy, total energy. Then the nanomechanical properties of the CF/PA-6 composite, such as interfacial thickness, interfacial modules, interfacial adhesion, were investigated by AFM PF-QNM model. The changes of the radical distribution function and energies over the MD simulation time indicated that the PA-6 chains adsorbed and then regularly folded on the CF surface, displaying the interfacial crystallization of the CF/PA-6 composite model. What stood out in the AFM PF-QNM tests were the abrupt decreasing of the interfacial modulus and the sharp increasing of the interfacial adhesion from those of the carbon fiber to those of the PA-6. The average interfacial thickness of the CF/PA-6 composite was 72 nm. Consistent with the simulation results, the interfacial properties were distinct from the properties of the carbon fiber and PA-6, owning to the adsorption and orderly folding of the PA-6 chains on the CF surface and the changes of the RDF and energies.

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Molecular dynamics simulation of adhesion at the asphalt-aggregate interface: A review

Cited by 6 publications

References 176 publications

Salt damage on asphalt surfaces under repeated dissolution at molecular scale

Salt damage on asphalt surfaces under repeated dissolution at molecular scale

Molecular-atomic scale insights into polymer-asphalt interactions induced by the oxidation of reactive oxygen species via computational simulation and multifield microscopy characterization

Investigation of the nanostructure and nanomechanical properties of the interphase in carbon fiber reinforced polyamide-6 composite

Contact Info

Product

Resources

About