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dc.contributor.authorWang, X
dc.contributor.authorXie, W
dc.contributor.authorLi, L-Y
dc.contributor.authorZhu, J
dc.contributor.authorXing, F
dc.date.accessioned2022-02-25T13:19:55Z
dc.date.issued2022-02-04
dc.identifier.issn2073-4360
dc.identifier.issn2073-4360
dc.identifier.other611
dc.identifier.urihttp://hdl.handle.net/10026.1/18850
dc.description.abstract

<jats:p>Microcapsule-based self-healing concrete can effectively repair micro-cracks in concrete and improve the strength and durability of concrete structures. In this paper, in order to study the effect of epoxy resin on the cement matrix at a microscopic level, molecular dynamics were used to simulate the mechanical and interfacial properties of microcapsule-based self-healing concrete in which uniaxial tension was carried out along the z-axis. The radial distribution function, interface binding energy, and hydrogen bonding of the composite were investigated. The results show that the epoxy resin/C-S-H composite has the maximum stress strength when TEPA is used as the curing agent. Furthermore, the interface binding energy between epoxy resin and cement matrix increases with increasing strain before the stress reaches its peak value. The cured epoxy resin can enhance both the interfacial adhesion and the ductility of the composite, which can meet the needs of crack repair of microcapsule-based self-healing cementitious materials.</jats:p>

dc.format.extent611-611
dc.format.mediumElectronic
dc.languageen
dc.language.isoen
dc.publisherMDPI
dc.subjectcementitious material
dc.subjectmechanical property
dc.subjectmicrocapsule
dc.subjectmolecular dynamics
dc.subjectself-healing
dc.titleMolecular Simulation Study on Mechanical Properties of Microcapsule-Based Self-Healing Cementitious Materials
dc.typejournal-article
dc.typeJournal Article
plymouth.author-urlhttps://www.ncbi.nlm.nih.gov/pubmed/35160600
plymouth.issue3
plymouth.volume14
plymouth.publisher-urlhttp://dx.doi.org/10.3390/polym14030611
plymouth.publication-statusPublished online
plymouth.journalPolymers
dc.identifier.doi10.3390/polym14030611
plymouth.organisational-group/Plymouth
plymouth.organisational-group/Plymouth/Faculty of Science and Engineering
plymouth.organisational-group/Plymouth/Faculty of Science and Engineering/School of Engineering, Computing and Mathematics
plymouth.organisational-group/Plymouth/REF 2021 Researchers by UoA
plymouth.organisational-group/Plymouth/REF 2021 Researchers by UoA/UoA12 Engineering
plymouth.organisational-group/Plymouth/Research Groups
plymouth.organisational-group/Plymouth/Research Groups/Marine Institute
plymouth.organisational-group/Plymouth/Users by role
plymouth.organisational-group/Plymouth/Users by role/Academics
dc.publisher.placeSwitzerland
dcterms.dateAccepted2022-02-03
dc.rights.embargodate2022-2-26
dc.identifier.eissn2073-4360
dc.rights.embargoperiodNot known
rioxxterms.versionofrecord10.3390/polym14030611
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserved
rioxxterms.licenseref.startdate2022-02-04
rioxxterms.typeJournal Article/Review


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