2020
DOI: 10.48550/arxiv.2003.02212
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Property Decoupling across the Nucleus-Melt Interface during Polymer Crystal Nucleation

Kyle Wm. Hall,
Simona Percec,
Wataru Shinoda
et al.

Abstract: Spatial distributions are presented that quantitatively capture how polymer properties (e.g., segment alignment, density, and potential energy) vary with distance from nascent polymer crystals (nuclei) in prototypical polyethylene melts. It is revealed that the spatial extent of nuclei and their interfaces is metric-dependent as is the extent to which nucleus interiors are solid-like. As distance from a nucleus increases, some properties, such as density, decay to melt-like behavior more rapidly than polymer s… Show more

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