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Using a Molecular Dynamics Simulation to Investigate Asphalt Nano-Cracking under External Loading Conditions

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dc.contributor.authorHou, Yueen
dc.contributor.authorWang, Linbingen
dc.contributor.authorWang, Daweien
dc.contributor.authorQu, Xinen
dc.contributor.authorWu, Jiangfengen
dc.contributor.departmentCivil and Environmental Engineeringen
dc.date.accessioned2017-09-20T18:34:05Zen
dc.date.available2017-09-20T18:34:05Zen
dc.date.issued2017-07-28en
dc.date.updated2017-09-20T18:34:05Zen
dc.description.abstractRecent research shows that macro-scale cracking in asphalt binder may originate from its intrinsic defects at the nano-scale. In this paper, a molecular dynamics (MD) simulation was conducted to evaluate the nucleation of natural defects in asphalt. The asphalt microstructure was modeled using an ensemble of three different types of molecules to represent a constituent species: asphaltenes, naphthene aromatics and saturates, where the weight proportion of 20:60:20 was used to create an asphalt-like ensemble of molecules. Tension force was then applied on the molecular boundaries to study the crack initiation and propagation. It was discovered that the natural distribution of atoms at microscale would affect the intrinsic defects in asphalt and further influence crack initiation and propagation in asphalt.en
dc.description.versionPublished versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationHou, Y.; Wang, L.; Wang, D.; Qu, X.; Wu, J. Using a Molecular Dynamics Simulation to Investigate Asphalt Nano-Cracking under External Loading Conditions. Appl. Sci. 2017, 7, 770.en
dc.identifier.doihttps://doi.org/10.3390/app7080770en
dc.identifier.urihttp://hdl.handle.net/10919/79342en
dc.language.isoenen
dc.publisherMDPIen
dc.rightsCreative Commons Attribution 4.0 Internationalen
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/en
dc.subjectMD simulationen
dc.subjectasphalten
dc.subjectnano-crackingen
dc.subjectlow temperatureen
dc.titleUsing a Molecular Dynamics Simulation to Investigate Asphalt Nano-Cracking under External Loading Conditionsen
dc.title.serialApplied Sciencesen
dc.typeArticle - Refereeden
dc.type.dcmitypeTexten

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