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arXiv · 0909.0213

Coarse-grained simulations of flow-induced nucleation in semi-crystalline polymers

Richard S. Graham·Peter D. Olmsted
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Abstract

We perform kinetic Monte Carlo simulations of flow-induced nucleation in polymer melts with an algorithm that is tractable even at low undercooling. The configuration of the non-crystallized chains under flow is computed with a recent non-linear tube model. Our simulations predict both enhanced nucleation and the growth of shish-like elongated nuclei for sufficiently fast flows. The simulations predict several experimental phenomena and theoretically justify a previously empirical result for the flow-enhanced nucleation rate. The simulations are highly pertinent to both the fundamental understanding and process modeling of flow-induced crystallization in polymer melts.

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Richard S. Graham, Peter D. Olmsted. 2009-09-01. Coarse-grained simulations of flow-induced nucleation in semi-crystalline polymers. https://doi.org/10.1103/physrevlett.103.115702

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