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dc.contributor.authorArson, Chloé
dc.contributor.authorJi, Koochul (K.)
dc.date.accessioned2020-04-07T20:48:34Z
dc.date.available2020-04-07T20:48:34Z
dc.date.issued2020-03
dc.identifier.citationK. Ji & C. Arson (2020). Tensile strength of calcite/HMWM and silica/HMWM interfaces: A Molecular Dynamics analysis. Construction and Building Materials, Volume 251, 118925, 2020. https://doi.org/10.1016/j.conbuildmat.2020.118925.en_US
dc.identifier.urihttp://hdl.handle.net/1853/62544
dc.description.abstractThe mechanical behavior of interfaces between high molecular weight methacrylate (HMWM) and concrete minerals (calcite and silica) is investigated from a Molecular Dynamics (MD) perspective. MD simulations of pullout tests shows that interfaces debond at the surface of contact between HMWM and the mineral substrate, and that the interfacial strength decreases in the presence of moisture, under low strain rate, or at high temperature. Silica/HMWM interfaces are stronger than the calcite/HMWM interfaces. Additionally, the work of separation is mostly done by van der Waals forces, in agreement with previous studies. We use published experimental data at low strain rate along with our MD results at high strain rate to calibrate Richeton’s model and Johnson-Cook model. We show that, if more experimental results were available for validation, MD results could be extrapolated to predict the tensile modulus of HMWM at low strain rate and the HMWM/mineral interfacial strength for a broad range of temperatures and strain rates. The sensitivity analysis of the model confirms that HMWM should be applied on dry surfaces and in concrete exposed to lower temperatures. Additionally, MD results suggest that HMWM is more likely to last in concrete with high silica contents than in concrete with high calcite contents.en_US
dc.language.isoen_USen_US
dc.publisherGeorgia Institute of Technologyen_US
dc.subjectConcreteen_US
dc.subjectHigh molecular weight methacrylateen_US
dc.subjectInterface strengthen_US
dc.subjectMolecular dynamicsen_US
dc.subjectStrain rateen_US
dc.subjectVan der Waals forcesen_US
dc.titleTensile strength of calcite/HMWM and silica/HMWM interfaces: A Molecular Dynamics analysisen_US
dc.typePre-printen_US
dc.contributor.corporatenameGeorgia Institute of Technology. School of Civil and Environmental Engineeringen_US
dc.identifier.doi10.1016/j.conbuildmat.2020.118925en_US


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