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• W2019959689 abstract "We enumerate all minimal energy packings (MEPs) for small single linear and ring polymers composed of spherical monomers with contact attractions and hard-core repulsions, and compare them to corresponding results for monomer packings. We define and identify ``dividing surfaces in polymer packings, which reduce the number of arrangements that satisfy hard-sphere and covalent bond constraints. Compared to monomer MEPs, polymer MEPs favor intermediate structural symmetry over high and low symmetries. We also examine the packing-preparation dependence for longer single chains using molecular dynamics simulations. For slow temperature quenches, chains form crystallites with close-packed cores. As quench rate increases, the core size decreases and the exterior becomes more disordered. By examining the contact number, we connect suppression of crystallization to the onset of isostaticity in disordered packings. These studies represent a significant step forward in our ability to predict how the structural and mechanical properties of compact polymers depend on collapse dynamics." @default.
• W2019959689 created "2016-06-24" @default.
• W2019959689 creator A5035424962 @default.
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• W2019959689 date "2010-08-05" @default.
• W2019959689 modified "2023-09-26" @default.
• W2019959689 title "Minimal Energy Packings and Collapse of Sticky Tangent Hard-Sphere Polymers" @default.
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• W2019959689 doi "https://doi.org/10.1103/physrevlett.105.068001" @default.
• W2019959689 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20868016" @default.
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