2016
DOI: 10.1039/c6sm00429f
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Frustrated phases under three-dimensional confinement simulated by a set of coupled Cahn–Hilliard equations

Abstract: We numerically study a set of coupled Cahn-Hilliard equations as a means to find morphologies of diblock copolymers in three-dimensional spherical confinement. This approach allows us to find a variety of energy minimizers including rings, tennis balls, Janus balls and multipods among several others. Phase diagrams of confined morphologies are presented. We modify the size of the interface between microphases to control the number of holes in multipod morphologies. Comparison to experimental observation by tra… Show more

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Cited by 36 publications
(82 citation statements)
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“…Using the blending method, nanoparticles NP3 containing BCP P3 with the desired striped morphology could thus be obtained (Figure , C3). A model to study PS‐ b ‐PI BCPs confined in 3D space results in an understanding morphologies of phase separation depending on the model parameters . Consequently, to gain deeper insights in the exact composition of the phases present in the internal structures of NP3 , electron tomography was performed in order to reconstruct a 3D model.…”
Section: Resultsmentioning
confidence: 99%
“…Using the blending method, nanoparticles NP3 containing BCP P3 with the desired striped morphology could thus be obtained (Figure , C3). A model to study PS‐ b ‐PI BCPs confined in 3D space results in an understanding morphologies of phase separation depending on the model parameters . Consequently, to gain deeper insights in the exact composition of the phases present in the internal structures of NP3 , electron tomography was performed in order to reconstruct a 3D model.…”
Section: Resultsmentioning
confidence: 99%
“…However, the associated interface is rigid and so it is difficult to include interface fluctuations in such simulations. The modeling of deformable microsphere interfaces has been examined, based on dynamic self‐consistent field theory (SCFT) . Pinna and co‐workers also reported the simulation of the interfacial structures of block copolymer shells fixed on colloidal particles based on the Ginzburg–Landau approach in association with the cell dynamics simulation (CDS) method .…”
Section: Controlling the Structures Of Phase Separated Polymer Microsmentioning
confidence: 99%
“…Using the same technique, 3D confinement structures were also reproduced . More recently, simulations of block copolymer phase separation under 3D confinement was precisely reproduced by numerical calculations employing the coupled Cahn–Hilliard equation ( Figure ). This technique modeled the dynamic processes associated with phase transformation in 3D confinement structures due to thermal annealing .…”
Section: Controlling the Structures Of Phase Separated Polymer Microsmentioning
confidence: 99%
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“…There is, however, still insufficient research regarding the nanoscale effect of organic ferroelectrics. [20] At ypical advantage point of the organic materials is their high degree of freedom for avariety of intermolecular interactions, for instance, an amphiphilic molecule bearing both hydrophobic and hydrophilic moieties, which can form various kinds of molecular assembly structures, such as micelle, vesicle, column, bilayer lamellar,a nd so on, according to the size balance of hydrophilic heada nd hydrophobic tail groups. [21][22][23][24] Such self-assembled nanoscale supramolecules are one of the interesting nanoscale materials for the fabrication of functional ferroelectric devices.…”
mentioning
confidence: 99%