Fluctuation correction for the order-disorder transition of diblock copolymer melts.

J Chem Phys

Department of Chemical Engineering, Department of Physics & Astronomy, and Waterloo Institute for Nanotechnology, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada.

Published: March 2021

The order-disorder transition (ODT) of diblock copolymer melts is evaluated for an invariant polymerization index of N¯=10, using field-theoretic simulations (FTS) supplemented by a partial saddle-point approximation for incompressibility. For computational efficiency, the FTS are performed using the discrete Gaussian-chain model, and results are then mapped onto the continuous model using a linear approximation for the Flory-Huggins χ parameter. Particular attention is paid to the complex phase window. Results are found to be consistent with the well-established understanding that the gyroid phase extends down to the ODT. Furthermore, our simulations are the first to predict that the Fddd phase survives fluctuation effects, consistent with experiments.

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Source
http://dx.doi.org/10.1063/5.0046167DOI Listing

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