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Effect of nanoconfinement on liquid-crystal polymer chains
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Image of FIG. 1.
FIG. 1.

A sketch of the MC simulation cell setup, consisting of two confining planar surfaces perpendicular to the laboratory axis. The periodic boundary conditions have been applied along and directions. We also show a monomer GB particle with two embedded surface interaction sites and , and a vector parallel to the surface , and the angle between the monomer axis and .

Image of FIG. 2.
FIG. 2.

Average order parameter [plot (a)], and average energy per particle [plot (b)] for the nanoconfined GB monomers samples as function of the temperature . The bulk energy profile in plot (b) has been taken from Ref. 37.

Image of FIG. 3.
FIG. 3.

Correlation function at [nematic phase, plot (a)] and [isotropic phase, plot (b)] for nanoconfined GB monomers samples: we also show from the left to the right the nematic and isotropic snapshots of the laboratory -axis views for the RP [ (a), and 0.03 (b)], UA [, and 0.27 (b)], and HOs [, and 0.22 (b)] anchorings.

Image of FIG. 4.
FIG. 4.

Three-dimensional views of the equilibrated confined polymeric samples for the RP plot (a), UA plot (b), and HOs plot (c) anchorings at temperature (nematic phase, left column), and at (isotropic phase, right column). The reference frame is also shown, while the monomeric particles and the confining surfaces have been omitted.

Image of FIG. 5.
FIG. 5.

Correlation function (left plot) and average order-parameter (right plot) profiles for the equilibrated confined polymeric chains. Error bars have been plotted every 20 histogram points.


Generic image for table
Table I.

Parametrizations of the particle-surface potential [see Eq. (5) for description of the coefficients] for the anchoring conditions studied in this work: wall, planar, alignment, homeotropic, and strong.

Generic image for table
Table II.

Standard average chain growth indeces: conversion , numeral and weight degrees of polymerization, and polydispersity index obtained from the MC simulated polymerization for the different nanoconfinements and temperatures described in the text.

Generic image for table
Table III.

Average second-rank order parameter, end-to-end distance, and gyration radius and other indeces used to characterize chains length and shape of the bulk and confined samples as described in the text.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Effect of nanoconfinement on liquid-crystal polymer chains