Published April 11, 2024 | Version v1
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Stable and unstable tiling patterns formed by ABC miktoarm star triblock terpolymers of symmetric interactions

  • 1. Department of Chemical and Biological Engineering, Colorado State University, 1370 Campus Delivery, Fort Collins, Colorado 80523-1370, USA

Description

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 (32.4.3.4) 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.

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10.1103_PhysRevMaterials.8.045604.pdf

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Additional details

Identifiers

DOI
10.1103/PhysRevMaterials.8.045604;
Crossref Funder ID
10.13039/100000015; 10.13039/100006132; 10.13039/100006151;

Publishing Information

Journal Title
Physical Review Materials
Journal Volume
8
Journal Issue
4
Journal Page Range
13 pgs.
ISSN
2475-9953

Optional Information

Contract/Grant/Project number
DE-SC0023203; DE-SC0023203
Notes
Present address: Department of Chemical Engineering, Pennsylvania State University, University Park, PA 16802, USA.; Contact Email: qwang@colostate.edu; Record automatically processed
Funding organization
U.S. Department of Energy; Office of Science; Basic Energy Sciences