Here we present reciprocal-space self-consistent field (SCF) calculations of the Frank-Kasper (FK) phases formed by diblock copolymer (DBC) melts based on the model used in dissipative particle dynamics (DPD) simulations, following the method of Matsen (Macromolecules <b>45</b>, 8502 (2012)). Comparisons with the SCF results based on the “standard” model (i.e., incompressible melts of continuous Gaussian chains with the Dirac <i>d</i>-function interaction) clearly reveal the effects of model differences (i.e., discrete Gaussian chains, finite-range interactions, and compressibility) on the stability of FK phases. This also enables us to unambiguously quantify using DPD simulations the fluctuation/correlation effects inherently neglected by the SCF theory, which are important to the low-molecular weight DBCs forming such phases in experiments.

Frank-Kasper phases of diblock copolymer melts studied with the DPD model

ACS Spring Meeting 2021

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