dc.contributor.author | Bering, Eivind | |
dc.contributor.author | Bedeaux, Dick | |
dc.contributor.author | Kjelstrup, Signe | |
dc.contributor.author | de Wijn, Astrid S. | |
dc.contributor.author | Latella, Ivan | |
dc.contributor.author | Rubi, Miguel | |
dc.date.accessioned | 2021-01-19T08:49:47Z | |
dc.date.available | 2021-01-19T08:49:47Z | |
dc.date.created | 2020-12-01T19:16:52Z | |
dc.date.issued | 2020 | |
dc.identifier.citation | Nanomaterials. 2020, 10 (12), 2355-2365. | en_US |
dc.identifier.issn | 2079-4991 | |
dc.identifier.uri | https://hdl.handle.net/11250/2723583 | |
dc.description.abstract | Single-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.iso | eng | en_US |
dc.publisher | MDPI | en_US |
dc.rights | Navngivelse 4.0 Internasjonal | * |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/deed.no | * |
dc.title | A Legendre–Fenchel Transform for Molecular Stretching Energies | en_US |
dc.type | Peer reviewed | en_US |
dc.type | Journal article | en_US |
dc.description.version | publishedVersion | en_US |
dc.source.pagenumber | 2355-2365 | en_US |
dc.source.volume | 10 | en_US |
dc.source.journal | Nanomaterials | en_US |
dc.source.issue | 12 | en_US |
dc.identifier.doi | 10.3390/nano10122355 | |
dc.identifier.cristin | 1855045 | |
dc.description.localcode | c 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.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 1 | |