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dc.contributor.authorDai, Liang
dc.contributor.authorRenner, Christopher Benjamin
dc.contributor.authorDoyle, Patrick S
dc.date.accessioned2017-02-21T21:00:38Z
dc.date.available2017-02-21T21:00:38Z
dc.date.issued2015-04
dc.date.submitted2014-08
dc.identifier.issn0024-9297
dc.identifier.issn1520-5835
dc.identifier.urihttp://hdl.handle.net/1721.1/107010
dc.description.abstractWe study the size distribution of spontaneous knots on semiflexible chains confined in square cross-section channels using Monte Carlo simulations. The most probable knot size, i.e. the metastable knot size, is found to vary nonmonotonically with the channel size. In the case of weak confinement, the metastable knot size is larger than the knot size in bulk because the segments within the knot feel less channel confinement than the segments outside the knot, and the channel pushes the segments into knot cores to reduce the overall free energy. Conversely, in the case of strong confinement, the metastable knot size is smaller than the one in bulk because the segments within the knot experience more channel confinement, and the channel expels segments from the knot core. We demonstrate that a simple theory can capture this nonmonotonic behavior and quantitatively explain the metastable knot size as a function of the channel size. These results may have implications for tuning the channel size to either generate or screen knots.en_US
dc.description.sponsorshipNational Science Foundation (U.S.) (Singapore-MIT Alliance for Research and Technology (SMART). Grant 1335938)en_US
dc.language.isoen_US
dc.publisherAmerican Chemical Society (ACS)en_US
dc.relation.isversionofhttp://dx.doi.org/10.1021/acs.macromol.5b00280en_US
dc.rightsArticle is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.en_US
dc.sourceMIT Web Domainen_US
dc.titleMetastable Knots in Confined Semiflexible Chainsen_US
dc.typeArticleen_US
dc.identifier.citationDai, Liang, C. Benjamin Renner, and Patrick S. Doyle. “Metastable Knots in Confined Semiflexible Chains.” Macromolecules 48.8 (2015): 2812–2818. © 2015 American Chemical Societyen_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Chemical Engineeringen_US
dc.contributor.mitauthorRenner, Christopher Benjamin
dc.contributor.mitauthorDoyle, Patrick S
dc.relation.journalMacromoleculesen_US
dc.eprint.versionAuthor's final manuscripten_US
dc.type.urihttp://purl.org/eprint/type/JournalArticleen_US
eprint.statushttp://purl.org/eprint/status/PeerRevieweden_US
dspace.orderedauthorsDai, Liang; Renner, C. Benjamin; Doyle, Patrick S.en_US
dspace.embargo.termsNen_US
dc.identifier.orcidhttps://orcid.org/0000-0003-1687-4522
mit.licensePUBLISHER_POLICYen_US


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