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dc.contributor.authorSahputra, Iwan Halim
dc.contributor.authorEchtermeyer, Andreas
dc.date.accessioned2021-10-21T07:20:17Z
dc.date.available2021-10-21T07:20:17Z
dc.date.created2021-04-27T11:44:24Z
dc.date.issued2021
dc.identifier.issn1022-9760
dc.identifier.urihttps://hdl.handle.net/11250/2824325
dc.description.abstractMolecular dynamics simulation were employed to investigate the effect of changing the potential energies describing primary and secondary bonds on the Young’s modulus of a polymer. The energies were changed by arbitrarily modifying the parameters of the potential energy model function. The parameters influence the structure of the polymer and its global energy, eventually causing changes to the Young’s modulus. The van der Waals energy describing secondary bonds gives the most significant contribution to the changes. Increasing the energy increases the density and Young’s modulus. The trends are in agreement with experimental data.en_US
dc.language.isoengen_US
dc.publisherSpringeren_US
dc.titleThe effects of the van der Waals potential energy on the Young’s modulus of a polymer: comparison between molecular dynamics simulation and experimenten_US
dc.typeJournal articleen_US
dc.description.versionsubmittedVersionen_US
dc.rights.holderThis is the authors' manuscript to an article published by Springer. This version will not be available due to the publishers copyright.en_US
dc.source.journalJournal of polymer researchen_US
dc.identifier.doihttps://doi.org/10.1007/s10965-021-02413-4
dc.identifier.cristin1906658
cristin.ispublishedtrue
cristin.fulltextpreprint
cristin.qualitycode1


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