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dc.contributor.authorBering, Eivind
dc.contributor.authorBedeaux, Dick
dc.contributor.authorKjelstrup, Signe
dc.contributor.authorde Wijn, Astrid S.
dc.contributor.authorLatella, Ivan
dc.contributor.authorRubi, Miguel
dc.date.accessioned2021-01-19T08:49:47Z
dc.date.available2021-01-19T08:49:47Z
dc.date.created2020-12-01T19:16:52Z
dc.date.issued2020
dc.identifier.citationNanomaterials. 2020, 10 (12), 2355-2365.en_US
dc.identifier.issn2079-4991
dc.identifier.urihttps://hdl.handle.net/11250/2723583
dc.description.abstractSingle-molecular polymers can be used to analyze to what extent thermodynamics applies when the size of the system is drastically reduced. We have recently verified using molecular-dynamics simulations that isometric and isotensional stretching of a small polymer result in Helmholtz and Gibbs stretching energies, which are not related to a Legendre transform, as they are for sufficiently long polymers. This disparity has also been observed experimentally. Using molecular dynamics simulations of polyethylene-oxide, we document for the first time that the Helmholtz and Gibbs stretching energies can be related by a Legendre–Fenchel transform. This opens up a possibility to apply this transform to other systems which are small in Hill’s sense.en_US
dc.language.isoengen_US
dc.publisherMDPIen_US
dc.rightsNavngivelse 4.0 Internasjonal*
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/deed.no*
dc.titleA Legendre–Fenchel Transform for Molecular Stretching Energiesen_US
dc.typePeer revieweden_US
dc.typeJournal articleen_US
dc.description.versionpublishedVersionen_US
dc.source.pagenumber2355-2365en_US
dc.source.volume10en_US
dc.source.journalNanomaterialsen_US
dc.source.issue12en_US
dc.identifier.doi10.3390/nano10122355
dc.identifier.cristin1855045
dc.description.localcodec 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).en_US
cristin.ispublishedtrue
cristin.fulltextoriginal
cristin.qualitycode1


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