Corrected Article: Simulation and observation of line-slip structures in columnar structures of soft spheres [Phys. Rev. E 96, 012610 (2017)]

Winkelmann, Jens; Haffner, Benjamin; Weaire, D.; Mughal, Adil; Hutzler, Stefan

doi:10.1103/physreve.97.059902

Cited by 11 publications

(19 citation statements)

References 36 publications

(71 reference statements)

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“…2 of Ref. [1] was only 2.00 ≤ D/d ≤ 2.22). The upper limit marks the point at which the character of the optimal structures changes radically; beyond this point the structures contain inner spheres which are not in contact with the cylindrical wall [19].…”

Section: The Phase Diagrammentioning

confidence: 87%

“…As described previously [1], the model that we adopt consists of spheres of diameter d, whose overlap δ ij leads to an increase in energy E S ij according to…”

Section: Model and Methodsmentioning

confidence: 99%

“…Stable structures are found by minimising the enthalpy H = E + P V for a system of N soft spheres in the unit cell, where E = E S + E B is the internal energy due to overlaps as described before (see Ref. [1]) and P is the pressure. During the minimisation, the free parameters are the sphere centres { r i }, the twist angle α, and the length of the unit cell L, while the pressure P is kept constant.…”

Section: Model and Methodsmentioning

confidence: 99%

“…1. These range from packings of bubbles [1][2][3][4][5][6][7] and colloidal particles [8][9][10][11] in cylinders at the macroscopic level, to molecules or particles in nanotubes [12][13][14], polymer coated nanoparticles in cylinders [15], as well as similar packings on cylinders [16]. Another stimulating discovery is that of tubular crystals [17], which have been found in simulations: these are made up of interlocking columnar structures [9,[18][19][20][21][22][23][24].…”

Section: Introductionmentioning

confidence: 99%

“…We have recently presented an analysis of equilibrium structures of soft spheres as a function of pressure P and the diameter ratio D/d of a cylinder (D) and the soft spheres of equal size (d) that are packed within it [1]. These simulation results were for structures which were found to have the lowest enthalpy.…”

Section: Introductionmentioning

confidence: 99%

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Columnar structures of soft spheres: Metastability and hysteresis

et al. 2018

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Previously we reported on the stable (i.e. minimal enthalpy) structures of soft monodisperse spheres in a long cylindrical channel. Here, we present further simulations, which significantly extend the original phase diagram up to D/d = 2.714 (ratio of cylinder and sphere diameters), where the nature of densest sphere packing changes. However, macroscopic systems of this kind are not confined to the ideal equilibrium states of this diagram. Consequently, we explore some of the structural transitions to be expected as experimental conditions are varied; these are in general hysteretic. We represent these transitions in a stability diagram for a representative case. Illustrative videos are included in the Supplemental Material. arXiv:1805.07673v3 [cond-mat.soft]

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Section: The Phase Diagrammentioning

confidence: 87%

“…As described previously [1], the model that we adopt consists of spheres of diameter d, whose overlap δ ij leads to an increase in energy E S ij according to…”

Section: Model and Methodsmentioning

confidence: 99%

Section: Model and Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Columnar structures of soft spheres: Metastability and hysteresis

et al. 2018

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Geometrical Frustration and Defect Formation in Growth of Colloidal Nanoparticle Crystals on a Cylinder: Implications for Assembly of Chiral Nanomaterials

Tanjeem

Wilkin

Beller

et al. 2021

ACS Appl. Nano Mater.

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Using a combination of experiment and simulation, we study how two-dimensional (2D) crystals of colloidal nanoparticles grow on cylindrical substrates. The cylindrical geometry allows us to examine growth in the absence of Gaussian curvature but in the presence of a closure constraintthe requirement that a crystal loops back onto itself. In some cases, this constraint results in structures that have been observed previously in theory and nonequilibrium packing experiments: chiral crystals and crystals with linear defects known as "line slips". More generally, though, the structures we see differ from those that have been observed: the line slips are kinked and contain partial vacancies. We show that these structures arise because the cylinder changes how the crystal grows. After a crystal wraps around the cylinder and touches itself, it must grow preferentially along the cylinder axis. As a result, crystals with a chiral line slip tend to trap partial vacancies. Indeed, we find that line slips that are less aligned with the cylinder axis incorporate more partial vacancies on average than the ones that are more aligned. These results show that crystal growth on a cylinder is frustrated by the closure requirement, a finding that may shed some light on the assembly of biological nanosystems such as tobacco mosaic virus and might inform ways to fabricate chiral optical nanomaterials.

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