Stable and unstable tiling patterns formed by ABC miktoarm star triblock terpolymers of symmetric interactions

Hawthorne, Cody; He, Juntong; Wang, Qiang

doi:10.1103/PhysRevMaterials.8.045604

Title: Stable and unstable tiling patterns formed by ABC miktoarm star triblock terpolymers of symmetric interactions

Journal Article · 10 April 2024 · Physical Review Materials

DOI: https://doi.org/10.1103/PhysRevMaterials.8.045604 · OSTI ID:2336614

; He, Juntong;

Several discrepancies exist among previous self-consistent field calculations of symmetrically interacting ABC miktoarm star triblock terpolymer melts. Here we address this issue by including all known tiling patterns, as well as several lamellar-type phases known to bound the regions in the parameter space occupied by these patterns. After carefully studying the effect of numerical parameters on the free-energy accuracy, the central region of the phase diagram is constructed in detail; both the (3.4.6.4) pattern and the three-dimensional phase of hierarchical-hexagonal lamellae are found to be stable for the first time. The energetic and entropic contributions to the free-energy density of several phases are analyzed and compared in detail to reveal their stability mechanisms, including the important ( $3^{2}$ .4.3.4) pattern. Comparisons to previous studies of the same model system are present throughout, with our results resolving the aforementioned discrepancies and providing a sound basis for future work to build upon. Published by the American Physical Society 2024

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0023203

OSTI ID:: 2336614

Journal Information:: Physical Review Materials, Journal Name: Physical Review Materials Journal Issue: 4 Vol. 8; ISSN PRMHAR; ISSN 2475-9953

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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