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Issue 4, 2012
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Glassy dynamics of crystallite formation: The role of covalent bonds

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Abstract

We examine nonequilibrium features of collapse behavior in model polymers with competing crystallization and glass transitions using extensive molecular dynamics simulations. By comparing to “colloidal” systems with no covalent bonds but the same non-bonded interactions, we find three principal results: (i) Tangent-sphere polymers and colloids, in the equilibrium-crystallite phase, have nearly identical static properties when the temperature T is scaled by the crystallization temperature Tcryst; (ii) Qualitative features of nonequilibrium relaxation below Tcryst, measured by the evolution of local structural properties (such as the number of contacts) toward equilibrium crystallites, are the same for polymers and colloids; and (iii) Significant quantitative differences in rearrangements in polymeric and colloidal crystallites, in both far-from equilibrium and near-equilibrium systems, can be understood in terms of chain connectivity. These results have important implications for understanding slow relaxation processes in collapsed polymers, partially folded, misfolded, and intrinsically disordered proteins.

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Publication details

The article was received on 22 Apr 2011, accepted on 08 Nov 2011 and first published on 28 Nov 2011


Article type: Paper
DOI: 10.1039/C1SM05741C
Citation: Soft Matter, 2012,8, 1215-1225
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    Glassy dynamics of crystallite formation: The role of covalent bonds

    R. S. Hoy and C. S. O'Hern, Soft Matter, 2012, 8, 1215
    DOI: 10.1039/C1SM05741C

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