Confinement-induced demixing and crystallization

Jung, Gerhard; Petersen, Charlotte F.

doi:10.1103/physrevresearch.2.033207

Cited by 16 publications

(24 citation statements)

References 68 publications

(117 reference statements)

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“…As we have discussed previously [33], it is not practical to reach a fully equilibrated glassy fluid of polydisperse hard spheres in quasi-confinement, because as in the slit geometry [48], the particles will eventually demix and then crystallize. However, this process occurs on long timescales, outside what is experimentally relevant, and only accessible in simulations when relying on advanced, unphysical dynamical algorithms [8,49].…”

Section: Simulationsmentioning

confidence: 99%

Tagged-particle motion in quasi-confined colloidal hard-sphere liquids

et al. 2021

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We investigate the tagged-particle motion in a strongly interacting quasiconfined liquid using periodic boundary conditions along the confining direction. Within a mode-coupling theory of the glass transition (MCT) we calculate the selfnonergodicity parameters and the self-intermediate scattering function and compare them with event-driven molecular dynamics simulations. We observe non-monotonic behavior for the in-plane mean-square displacement and further correlation functions which refer to higher mode indices encoding information about the perpendicular motion.The in-plane velocity-autocorrelation function reveals persistent anticorrelations with a negative algebraic power-law decay t −2 at all packing fractions.

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Section: Simulationsmentioning

confidence: 99%

Tagged-particle motion in quasi-confined colloidal hard-sphere liquids

et al. 2021

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“…In addition to being excellent model systems for certain colloidal suspensions [1][2][3], their simplicity makes them a fundamental model study for many-body systems at any scale. As a result, simulations of hard spheres have been instrumental in shedding light on many aspects of statistical physics, including phase behavior in bulk [4][5][6][7][8][9][10][11] and in confinement [12][13][14][15][16][17][18], crystal nucleation [19][20][21][22][23][24][25][26], and glassy materials [27][28][29][30][31][32][33][34][35][36].…”

Section: Introductionmentioning

confidence: 99%

Efficient event-driven simulations of hard spheres

Smallenburg¹

2022

Preprint

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Hard spheres are arguably one of the most fundamental model systems in soft matter physics, and hence a common topic of simulation studies. Event-driven simulation methods provide an efficient method for studying the phase behavior and dynamics of hard spheres under a wide range of different conditions. Here, we examine the impact of several optimization strategies for speeding up event-driven molecular dynamics of hard spheres, and present a light-weight simulation code that outperforms existing simulation codes over a large range of system sizes and packing fractions. The presented differences in simulation speed, typically a factor of five to ten, save significantly on both CPU time and energy consumption, and may be a crucial factor for studying slow processes such as crystal nucleation and glassy dynamics.1 It should be noted that variations on EDMD that simulate Brownian[49] or Langevin [50] dynamics have been developed as well.

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“…The colloidal equivalent of marbles, hard spheres only interact when colliding, but despite this simplicity exhibit nearly all important aspects of phase behavior. As such, colloidal hard spheres have been instrumental in enhancing our understanding of crystal nucleation [1,2], crystallization in confinement [3][4][5][6][7][8][9], two-dimensional melting [10,11], glassy dynamics [12][13][14][15][16], crystal defects [17][18][19], among many others. Their important role in soft matter science stems not only from their theoretical simplicity and the ease and speed at which they can be simulated [20,21], but also from the fact that they can be quantitatively explored in the lab [22][23][24][25].…”

Section: Introductionmentioning

confidence: 99%

Self-assembly of dodecagonal and octagonal quasicrystals in hard spheres on a plane

Fayen¹,

Impéror‐Clerc²,

Filion³

et al. 2022

Preprint

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Quasicrystals are fascinating structures, characterized by strong positional order but lacking the periodicity of a crystal. In colloidal systems, quasicrystals are typically predicted for particles with complex or highly specific interactions, which makes experimental realization difficult. Here, we propose an ideal colloidal model system for quasicrystal formation: binary mixtures of hard spheres sedimented onto a flat substrate. Using computer simulations, we explore both the close-packing and spontaneous self-assembly of these systems over a wide range of size ratios and compositions. Surprisingly, we find that this simple, effectively two-dimensional model systems forms not only a variety of crystal phases, but also two quasicrystal phases: one dodecagonal and one octagonal. Intriguingly, the octagonal quasicrystal consists of three different tiles, whose relative concentrations can be continuously tuned via the composition of the binary mixture. Both phases form reliably and rapidly over a significant part of parameter space, making hard spheres on a plane an ideal model system for exploring quasicrystal self-assembly on the colloidal scale.

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Confinement-induced demixing and crystallization

Cited by 16 publications

References 68 publications

Tagged-particle motion in quasi-confined colloidal hard-sphere liquids

Tagged-particle motion in quasi-confined colloidal hard-sphere liquids

Efficient event-driven simulations of hard spheres

Self-assembly of dodecagonal and octagonal quasicrystals in hard spheres on a plane

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