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Tiling patterns from ABC star molecules: 3-Colored foams?

Kirkensgaard, Jacob; Pedersen, Martin C; Hyde, Stephen

Description

We present coarse-grained simulations of the self-assembly of 3-armed ABC star polyphiles. In systems of star polyphiles with two arms of equal length the simulations corroborate and expand previous findings from related miktoarm star terpolymer systems on the formation of patterns containing columnar domains whose sections are 2D planar tilings. However, the systematic variation of face topologies as the length of the third (unequal) arm is varied differs from earlier findings regarding the...[Show more]

dc.contributor.authorKirkensgaard, Jacob
dc.contributor.authorPedersen, Martin C
dc.contributor.authorHyde, Stephen
dc.date.accessioned2015-12-13T22:32:05Z
dc.identifier.issn1744-683X
dc.identifier.urihttp://hdl.handle.net/1885/75421
dc.description.abstractWe present coarse-grained simulations of the self-assembly of 3-armed ABC star polyphiles. In systems of star polyphiles with two arms of equal length the simulations corroborate and expand previous findings from related miktoarm star terpolymer systems on the formation of patterns containing columnar domains whose sections are 2D planar tilings. However, the systematic variation of face topologies as the length of the third (unequal) arm is varied differs from earlier findings regarding the compositional dependence. We explore 2D 3-colored foams to establish the optimal patterns based on interfacial energy alone. A generic construction algorithm is described that accounts for all observed 2D tiling patterns and suggests other patterns likely to be found beyond the range of the simulations reported here. Patterns resulting from this algorithm are relaxed using Surface Evolver calculations to form 2D foams with minimal interfacial length as a function of composition. This allows us to estimate the interfacial enthalpic contributions to the free energy of related star molecular assemblies assuming strong segregation. We compare the resulting phase sequence with a number of theoretical results from particle-based simulations and field theory, allowing us to tease out relative enthalpic and entropic contributions as a function of the chain lengths making up the star molecules. Our results indicate that a richer polymorphism is to be expected in systems not dominated by chain entropy. Further, analysis of corresponding planar tiling patterns suggests that related two-periodic columnar structures are unlikely hypothetical phases in 4-arm star polyphile melts in the absence of sufficient arm configurational freedom for minor domains to form lens-shaped di-gons, which require higher molecular weight polymeric arms. Finally, we discuss the possibility of forming a complex tiling pattern that is a quasi-crystalline approximant for 3-arm star polyphiles with unequal arm lengths.
dc.publisherRoyal Society of Chemistry
dc.sourceSoft Matter
dc.titleTiling patterns from ABC star molecules: 3-Colored foams?
dc.typeJournal article
local.description.notesImported from ARIES
local.identifier.citationvolume10
dc.date.issued2014
local.identifier.absfor030307 - Theory and Design of Materials
local.identifier.absfor020405 - Soft Condensed Matter
local.identifier.ariespublicationU3488905xPUB4611
local.type.statusPublished Version
local.contributor.affiliationKirkensgaard, Jacob, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationPedersen, Martin C, University of Copenhagen
local.contributor.affiliationHyde, Stephen, College of Physical and Mathematical Sciences, ANU
local.description.embargo2037-12-31
local.bibliographicCitation.issue37
local.bibliographicCitation.startpage7182
local.bibliographicCitation.lastpage7194
local.identifier.doi10.1039/c4sm01052c
dc.date.updated2015-12-11T09:04:43Z
local.identifier.scopusID2-s2.0-84907059420
local.identifier.thomsonID000341456600004
CollectionsANU Research Publications

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