Predicting self-assembled patterns on spheres with multicomponent coatings

Edlund, Erik; Lindgren, Oskar; Jacobi, Martin Nilsson

doi:10.1039/c3sm52827h

Cited by 11 publications

(23 citation statements)

References 33 publications

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“…Similarly to the clustering criterion obtained here, Edlund et Al. 17 find a correspondence between the presence of a negative minimum in the energy spectrum of the interaction potential in spin systems on the sphere and patterned ground states. Figure 2 shows the presence of the negative minimum in the spherical harmonic expansion of the GEM-4 potential at * = 0.…”

Section: Clustering Criterionmentioning

confidence: 77%

Formation of cluster crystals in an ultra-soft potential model on a spherical surface

2018

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We investigate the formation of cluster crystals with multiply occupied lattice sites on a spherical surface in systems of ultra-soft particles interacting via repulsive, bounded pair potentials. Not all interactions of this kind lead to clustering: we generalize the criterion devised in C. N. Likos et al., Phys. Rev. E, 2001, 63, 031206 to spherical systems in order to distinguish between cluster forming systems and fluids which display reentrant melting. We use both DFT and Monte Carlo simulations to characterize the behavior of the system, and obtain semi-quantitative agreement between the two. Furthermore, we study the effect of topological frustration on the system due to the sphere curvature by comparing the properties of disclinations, i.e., clusters with fewer than six neighbors, and non-defective clusters. Disclinations are shown to be less stable, contain fewer particles, and be closer to their neighbors than other lattice points: these properties are explained on the basis of geometric and energetic considerations. arXiv:1807.11303v1 [cond-mat.soft] 30 Jul 2018

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Section: Clustering Criterionmentioning

confidence: 77%

Formation of cluster crystals in an ultra-soft potential model on a spherical surface

2018

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“…71,72 An ensemble of such "dressed" particles can be regarded as a system of patchy particles that lately have been receiving much attention as a means to engineer anisotropic interactions. 73 …”

Section: B Open Problems and Perspectivesmentioning

confidence: 99%

An unconstrained DFT approach to microphase formation and application to binary Gaussian mixtures

Pini

Parola

Reatto³

2015

The Journal of Chemical Physics

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Phase behavior and structure of star-polymer-colloid mixtures J. Chem. Phys. 116, 9518 (2002) The formation of microphases in systems of particles interacting by repulsive, bounded potentials is studied by means of density-functional theory (DFT) using a simple, mean-field-like form for the free energy which has already been proven accurate for this class of soft interactions. In an effort not to constrain the configurations available to the system, we do not make any assumption on the functional form of the density profile ρ(r), save for its being periodic. We sample ρ(r) at a large number of points in the unit cell and minimize the free energy with respect to both the values assumed by ρ(r) at these points and the lattice vectors which identify the Bravais lattice. After checking the accuracy of the method by applying it to a one-component generalized exponential model (GEM) fluid with pair potential ϵ exp[−(r/R) 4 ], for which extensive DFT and simulation results are already available, we turn to a binary mixture of Gaussian particles which some time ago was shown to support microphase formation [A. J. Archer, C. N. Likos, and R. Evans, J. Phys.: Condens. Matter 16, L297 (2004)], but has not yet been investigated in detail. The phase diagram which we obtain, that supersedes the tentative one proposed by us in a former study [M. Carta, D. Pini, A. Parola, and L. Reatto, J. Phys.: Condens. Matter 24, 284106 (2012)], displays cluster, tubular, and bicontinuous phases similar to those observed in block copolymers or oil/water/surfactant mixtures. Remarkably, bicontinuous phases occupy a rather large portion of the phase diagram. We also find two non-cubic phases, in both of which one species is preferentially located inside the channels left available by the other, forming helices of alternating chirality. The features of cluster formation in this mixture and in GEM potentials are also compared. C 2015 AIP Publishing LLC. [http://dx

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“…Nowadays, patchy particles are the subject of growing interest in the self assembled material community and various ingenious particle synthesis techniques have been developed (see for example the review by Pawar and Kretzschmar [29] and recent articles [30][31][32]). Concomitantly, numerical models have been tested and the influence of that kind of anisotropy on the system behavior has been studied (see for example [28,[33][34][35][36][37][38][39][40]).…”

Section: Introductionmentioning

confidence: 99%

Brownian cluster dynamics with short range patchy interactions: Its application to polymers and step-growth polymerization

Prabhu

Babu

Dolado

et al. 2014

The Journal of Chemical Physics

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We present a novel simulation technique derived from Brownian cluster dynamics used so far to study the isotropic colloidal aggregation. It now implements the classical KernFrenkel potential to describe patchy interactions between particles. This technique gives access to static properties, dynamics and kinetics of the system, even far from the equilibrium. Particle thermal motions are modeled using billions of independent small random translations and rotations, constrained by the excluded volume and the connectivity. This algorithm, applied to a single polymer chain leads to correct static and dynamic properties, in the framework where hydrodynamic interactions are ignored. By varying patch angles, various chain flexibilities can be obtained. We have used this new algorithm to model step-growth polymerization under various solvent qualities. The polymerization reaction is modeled by an irreversible aggregation between patches while an isotropic finite square-well potential is superimposed to mimic the solvent quality. In bad solvent conditions, a competition between a phase separation (due to the isotropic interaction) and polymerization (due to patches) occurs. Surprisingly, an arrested network with a very peculiar structure appears. It is made of strands and nodes. Strands gather few stretched chains that dip into entangled globular nodes. These nodes act as reticulation points between the strands. The system is kinetically driven and we observe a trapped arrested structure. That demonstrates one of the strengths of this new simulation technique. It can give valuable insights about mechanisms that could be involved in the formation of stranded gels.

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Predicting self-assembled patterns on spheres with multicomponent coatings

Cited by 11 publications

References 33 publications

Formation of cluster crystals in an ultra-soft potential model on a spherical surface

Formation of cluster crystals in an ultra-soft potential model on a spherical surface

An unconstrained DFT approach to microphase formation and application to binary Gaussian mixtures

Brownian cluster dynamics with short range patchy interactions: Its application to polymers and step-growth polymerization

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