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• W2103249786 abstract "We derive a kinetic Monte Carlo algorithm to simulate flow-induced nucleation in polymer melts. The crystallisation kinetics are modified by both stretching and orientation of the amorphous chains under flow, which is modelled by a recent non-linear tube theory. Rotation of the crystallites under flow is modelled by a simultaneous Brownian dynamics simulation. Our kinetic Monte Carlo approach is highly efficient at simulating nucleation and is tractable even at low under-cooling. The simulations predict enhanced nucleation under both transient and steady state shear. Furthermore the model predicts the growth of shish-like elongated nuclei for sufficiently fast flows, which grow by a purely kinetic mechanism." @default.
• W2103249786 created "2016-06-24" @default.
• W2103249786 creator A5032911183 @default.
• W2103249786 creator A5043058568 @default.
• W2103249786 date "2010-01-01" @default.
• W2103249786 modified "2023-10-18" @default.
• W2103249786 title "Kinetic Monte Carlo simulations of flow-induced nucleation in polymer melts" @default.
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• W2103249786 doi "https://doi.org/10.1039/b901606f" @default.
• W2103249786 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20158024" @default.
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