Phase diagram of hard snowman-shaped particles

Dennison, Matthew; Milinković, Kristina; Dijkstra, Marjolein

doi:10.1063/1.4737621

Cited by 19 publications

(40 citation statements)

References 45 publications

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“…This d value allows us to study different aspects of the phase behavior of dimer particles. The tangential particle phase behavior at this diameter ratio is relatively simple, with only isotropic and an aperiodic crystalline phase found to be stable [15]. We can therefore investigate whether reducing the sphere separation can have the same effect on the phase behavior as reducing the diameter ratio, i.e., stabilizing additional crystalline phases.…”

Section: Introductionmentioning

confidence: 99%

“…Perhaps the simplest anisotropic particle, which has been the focus of many theoretical [6][7][8] and simulation [9][10][11][12][13][14][15] studies, is the dimer. Dimer particles are not only fundamentally interesting, e.g., as a model for diatomic molecules, but also have practical applications, e.g., in the production of colloidal crystals with useful optical properties [16,17].…”

Section: Introductionmentioning

confidence: 99%

“…In a recent publication [15] we used computer simulations to map out the phase diagram of hard tangential dimer (snowman-shaped) particles with varying constituent sphere diameter ratios. We found that the stable structures at high densities are colloidal crystals analogous to the best packed structures for equimolar binary hard-sphere mixtures.…”

Section: Introductionmentioning

confidence: 99%

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Phase diagram of hard asymmetric dumbbell particles

2013

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Using Monte Carlo simulations and free energy calculations, we study the phase behavior of hard asymmetric dumbbell particles with a constituent sphere diameter ratio of 0.5. We find a rich phase behavior with isotropic fluid, rotator, and periodic NaCl-based and both periodic and aperiodic CrB-based crystalline phases. The rotator phases found to be stable in this study are similar to those found in systems of snowman-shaped and dumbbell particles and we investigate the behavior of these phases by comparing their stability ranges, and by looking at the orientational reorganization of particles. We also find that the NaCl-based crystalline phase can expand its range of stability by undergoing a slight modification which allows it to pack better. Finally, we see that reducing the sphere separation results in the aperiodic crystalline phases becoming destabilized as compared to the phase behavior of snowman-shaped particles.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Phase diagram of hard asymmetric dumbbell particles

2013

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“…While the emergent order is typically periodic in the form of a crystal, quasiperiodic and degenerate [70] order are also possible. These phases are stabilized by entropy alone and are observed in compu- * Electronic address: sglotzer@umich.edu tational studies of various hard particle shapes including spheres [2,3], spherocylinders [24], thin disks [25,26], ellipsoids [27][28][29][30][31], dumbbells [32], tetrahedra [33,34], triangular bipyramids [35], superballs, cubes and octahedra [36,37], snowman particles [38], squares [39], spacefilling polyhedra [40][41][42] and many other polyhedra [43]. The preponderance of optical, electrical, magnetic and mechanical properties of ordered structures formed from such particles [44,45] makes knowledge and prediction of their expected thermodynamic assemblies of particular current interest.…”

Section: Introductionmentioning

confidence: 99%

Packing and self-assembly of truncated triangular bipyramids

et al. 2013

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Motivated by breakthroughs in the synthesis of faceted nano-and colloidal particles, as well as theoretical and computational studies of their packings, we investigate a family of truncated triangular bipyramids. We report dense periodic packings with small unit cells that were obtained via numerical and analytical optimization. The maximal packing fraction φmax changes continuously with the truncation parameter t. Eight distinct packings are identified based on discontinuities in the first and second derivatives of φmax(t). These packings differ in the number of particles in the fundamental domain (unit cell) and the type of contacts between the particles. In particular, we report two packings with four particles in the unit cell for which both φmax(t) and φ max (t) are continuous and the discontinuity occurs in the second derivative only. In the self-assembly simulations that we perform for larger boxes with 2048 particles, only one out of eight packings is found to assemble. In addition, the degenerate quasicrystal reported previously for triangular bipyramids without truncation [Haji-Akbari et al., Phys. Rev. Lett. 107: 215702 (2011)] assembles for truncations as high as 0.45. The self-assembly propensities for the structures formed in the thermodynamic limit are explained using the isoperimetric quotient of the particles and the coordination number in the disordered fluid and in the assembled structure.

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“…One key feature of such dumbbells is the asymmetry in the relative size of the constituting spheres and/or in their interaction potential. Pure hardsphere, as well as pure square-well colloidal dumbbells have been widely studied, with a variety of investigation concerning their thermodynamic and structural properties [11][12][13][14][15][16][17][18][19][20][21]. In the special case in which one of the two particles is solvophilic, and the other one is solvophobic, the "molecule" represents a simple example of a colloidal surfactant (Janus dumbbell [22,23]).…”

Section: Introductionmentioning

confidence: 99%

Cluster formation and phase separation in heteronuclear Janus dumbbells

Munaò

O’Toole

Hudson

et al. 2015

J. Phys.: Condens. Matter

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Abstract. We have recently investigated the phase behaviour of model colloidal dumbbells constituted by two identical tangent hard spheres, with the first one being surrounded by an attractive square-well interaction (Janus dumbbells, Munaó G et al 2014 Soft Matter 10 5269). Here we extend our previous analysis by introducing in the model the size asymmetry of the hard-core diameters, and study the enriched phase scenario thereby obtained. By employing standard Monte Carlo simulations we show that in such "heteronuclear Janus dumbbells" a larger hard-sphere site promotes the formation of clusters, whereas in the opposite condition a gas-liquid phase separation takes place, with a narrow interval of intermediate asymmetries wherein the two phase behaviours may compete. In addition, some peculiar geometrical arrangements, such as lamellae, are observed only around the perfectly symmetric case. A qualitative agreement is found with recent experimental results, where it is shown that the roughness of molecular surfaces in heterogeneous dimers leads to the formation of colloidal micelles.

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Phase diagram of hard snowman-shaped particles

Cited by 19 publications

References 45 publications

Phase diagram of hard asymmetric dumbbell particles

Phase diagram of hard asymmetric dumbbell particles

Packing and self-assembly of truncated triangular bipyramids

Cluster formation and phase separation in heteronuclear Janus dumbbells

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