Dynamic ordering of driven spherocylinders in a nonequilibrium suspension of small colloidal spheres

Lüders, Anton; Siems, Ullrich; Nielaba, Peter

doi:10.1103/physreve.99.022601

Cited by 8 publications

(5 citation statements)

References 47 publications

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“…Relating the behavior of memory kernels in Molecular Dynamics (Jung and Schmid, 2016;Jung et al, 2017;Lesnicki et al, 2016) is worthwhile. Identifying the superadiabatic force contributions in driven mixtures of spheres and spherocylinders could be revealing for the observed ordering phenomena in this system (Lüders et al, 2019). Applying power functional theory to the task of classifying new states of active matter (Menzel, 2016) is an exciting perspective.…”

Section: Discussionmentioning

confidence: 99%

“…The behaviour of patchy colloids has been addressed using DFT (de las Heras et al, 2011), as well as complex capillary phase behaviour in model liquid crystals (de las Heras et al, 2005). DFT is applied to complex problems such as nucleation of crystals and polymorphic behaviour (Lutsko and Lam, 2018). FMT has been formulated for lattice models by Lafuente and Cuesta (2004); see e.g.…”

Section: B Timeline Of Density Functional Theorymentioning

confidence: 99%

See 1 more Smart Citation

Power functional theory for Newtonian many-body dynamics

Schmidt

2018

The Journal of Chemical Physics

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We construct a variational theory for the inertial dynamics of classical many-body systems out of equilibrium. The governing (power rate) functional depends on three time- and space-dependent one-body distributions, namely, the density, the particle current, and the time derivative of the particle current. The functional is minimized by the true time derivative of the current. Together with the continuity equation, the corresponding Euler-Lagrange equation uniquely determines the time evolution of the system. An adiabatic approximation introduces both the free energy functional and the Brownian free power functional, as is relevant for liquids governed by molecular dynamics at constant temperature. The forces beyond the Brownian power functional are generated from a superpower (above the overdamped Brownian) functional.

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Section: Discussionmentioning

confidence: 99%

Section: B Timeline Of Density Functional Theorymentioning

confidence: 99%

Power functional theory for Newtonian many-body dynamics

Schmidt

2018

The Journal of Chemical Physics

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“…For inorganic materials, sedimentation resulting from the mesogen density In summary, fundamental colloidal theories and simulation methods are very beneficial for gaining insights into the phase behavior of nanocylinder-nanoparticle systems. However, even for relatively ideal systems such as fd virus and polystyrene nanoparticles, the experimental phase diagrams can be even richer than those predicted from simulations [9,103,105,[107][108][109][110]. The complexities of shape disperse mesogens are further complicated by length polydispersity and attractive interactions.…”

Section: Nanocylinders and Nanoparticles (1d-0d)mentioning

confidence: 97%

The Effects of Size and Shape Dispersity on the Phase Behavior of Nanomesogen Lyotropic Liquid Crystals

et al. 2020

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Self-assembly of anisotropic nanomaterials into fluids is a key step in producing bulk, solid materials with controlled architecture and properties. In particular, the ordering of anisotropic nanomaterials in lyotropic liquid crystalline phases facilitates the production of films, fibers, and devices with anisotropic mechanical, thermal, electrical, and photonic properties. While often considered a new area of research, experimental and theoretical studies of nanoscale mesogens date back to the 1920s. Through modern computational, synthesis, and characterization tools, there are new opportunities to design liquid crystalline phases to achieve complex architectures and enable new applications in opto-electronics, multifunctional textiles, and conductive films. This review article provides a brief review of the liquid crystal phase behavior of one dimensional nanocylinders and two dimensional nanoplatelets, a discussion of investigations on the effects of size and shape dispersity on phase behavior, and outlook for exploiting size and shape dispersity in designing materials with controlled architectures.

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“…The moving walls are realised by two soft walls similar to the ones in an earlier publication. 27 They move closer to each other with a constant velocity v. During the simulations, the walls are moved in every discrete simulation step after the interaction forces are calculated. In detail, the particle interactions are handled first.…”

Section: Brownian Dynamics Algorithmmentioning

confidence: 99%

“…Examples of the effects observed are single file diffusion, 26 especially in the high density regime, and an influence of the confining walls on the orientational degrees of freedom. 27 By employing a variation of the Brownian dynamics algorithm which was already successfully utilised to model spherocylinders 28,29 and three-dimensional dumbbells, 30 it is possible to foster the understanding of the structure of dumbbell monolayers in direct comparison with experiments.…”

Section: Introductionmentioning

confidence: 99%