Regioregularity controlled phase behavior for Poly(3-hexylthiophene): A combined study of simple coarse-grained simulation and experiment
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DOI: 10.1016/j.polymer.2019.121569
Abstract: Abstract In this study, we developed a simple coarse-grained simulation model framework to investigate the effect of regioregularity (RR) on the crystallization behavior of poly(3-hexylthiophene) (P3HT). To describe the regio-chemistry of P3HT, two different coarse-grained… read more here.
Keywords: poly hexylthiophene; simple coarse; grained simulation; behavior poly ... See more keywords
Coarse-grained simulation of molecular ordering in polylactic blends under uniaxial strain
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DOI: 10.1016/j.polymer.2020.122232
Abstract: Abstract The coarse-grained model of polylactic acid (PLA) has been refined for applicability within an extended temperature range and used to investigate the mechanical and structural properties of uniaxially strained pure PLA and its blends… read more here.
Keywords: simulation molecular; pla; coarse; coarse grained ... See more keywords
Coarse-Grained Simulation of Mechanical Properties of Single Microtubules With Micrometer Length
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DOI: 10.3389/fmolb.2020.632122
Abstract: Microtubules are one of the most important components in the cytoskeleton and play a vital role in maintaining the shape and function of cells. Because single microtubules are some micrometers long, it is difficult to… read more here.
Keywords: single microtubules; model; mechanical properties; coarse grained ... See more keywords