Stable and unstable tiling patterns formed by ABC miktoarm star triblock terpolymers of symmetric interactions
Creators
- 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 (.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.
Files
10.1103_PhysRevMaterials.8.045604.pdf
Files
(2.5 MB)
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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
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- Subject category
- S97: MATHEMATICAL METHODS AND COMPUTING; S79: ASTROPHYSICS, COSMOLOGY AND ASTRONOMY;
- Descriptors DEI
- ACCURACY; COMPARATIVE EVALUATIONS; ENERGY DENSITY; ENTROPY; FREE ENERGY; INTERACTIONS; LAMELLAE; MELT-THROUGH; PHASE DIAGRAMS; SOUND WAVES; SPACE; STABILITY; STARS; SYMMETRY
- Descriptors DEC
- ACCIDENTS; BEYOND-DESIGN-BASIS ACCIDENTS; DIAGRAMS; ENERGY; EVALUATION; INFORMATION; MELTDOWN; PHYSICAL PROPERTIES; REACTOR ACCIDENTS; SEVERE ACCIDENTS; THERMODYNAMIC PROPERTIES
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