Dynamical states in driven colloidal liquid crystals

Fischermeier, Ellen; Maréchal, Matthieu; Mecke, Klaus

doi:10.1063/1.4901423

Cited by 2 publications

(3 citation statements)

References 21 publications

(56 reference statements)

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“…In others studies of spherocylinders, the edFMT functional has been applied to systems under the influence of both static and time-dependent external fields that couple to the orientations of the particles [25,26]. The results for the time-dependent field, which were obtained using a dynamic version of density functional theory, were later confirmed to be qualitatively correct using computer simulations [27].…”

Section: Introductionmentioning

confidence: 90%

“…TR by any factor smaller than one makes the disagreement worse, as it decreases the (14) and FMMT- 4 9 TR, for which φ 3 is given by equation (27), with simulation results [21]. The dotted lines in the second case indicate the extrapolation to a continuous transition at…”

Section: Rescaling Of φmentioning

confidence: 99%

“…In fact, our modified FMMT is about as accurate for the IN transition as an FMT-like DFT developed specifically for hard disks [23], see [31]. Now we consider the question of whether a rescaling of this kind could result in a better functional for spherocylinders by examining the liquid crystal phase behavior obtained with φ 3 from equation (27). We show the phase diagram from FMMT- 4 9 TR together with the results from the FMMT without rescaling and simulation data in figure 5.…”

Section: Rescaling Of φmentioning

confidence: 99%

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Fundamental measure theory for non-spherical hard particles: predicting liquid crystal properties from the particle shape

Wittmann

Maréchal

Mecke

2016

J. Phys.: Condens. Matter

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Hard-particle model systems help to improve our understanding of the effect of particle shape on collective behavior at a fundamental level. Furthermore, these system can now be realized in the form of colloids or nanoparticles due to recent advances in synthesis techniques [1]. A driving force for these efforts is the possibility that these experimental systems form structures that can be applied as novel materials. While these hard-particle systems were originally studied using computer simulations [2], the application of continuum theories is more natural for some long-wave-length or high-symmetry problems.Density functional theory (DFT) [3,4] is a continuum theory for systems that are inhomogeneous or anisotropic either due to applied external fields [3,5,6] or spontaneous symmetry breaking [7][8][9]. Hard spheres represent a classical and quite tractable system to which density functional theory has been applied in many studies. One of the most successful versions of DFT for hard-sphere mixtures is Rosenfeld's fundamental measure theory (FMT), which is based on the fundamental measures of each spherical component, namely, its radius, area and volume [10]. A version of FMT derived from the zero-dimensional limit [11,12] has proven to be very successful in predicting the properties of the crystal [8]. This FMT has been further modified to yield the excellent Carnahan-Starling equation of state [13] for the homogeneous fluid and the resulting FMT [14,15] predicts the hard-sphere freezing transition very accurately [16].Simultaneously, the interest in liquid crystals has been a motivation to apply DFT to anisotropic particles, for instance, hard spherocylinders, idealized rod-like molecules. The isotropic-smectic-A and nematic-smectic-A phase transitions of these rods were determined using different weighted density versions of DFT for anisotropic particles [17][18][19][20] and showed reasonable agreement with the essentially exact simulation results of [21]. However, the construction of the free energy functional of these theories is ad hoc and we would like to use a functional based solely on the geometry of the particles, such as FMT for hard spheres. Some fundamental AbstractDensity functional theory (DFT) for hard bodies provides a theoretical description of the effect of particle shape on inhomogeneous fluids. We present improvements of the DFT framework fundamental measure theory (FMT) for hard bodies and validate these improvements for hard spherocylinders. To keep the paper self-contained, we first discuss the recent advances in FMT for hard bodies that lead to the introduction of fundamental mixed measure theory (FMMT) in our previous paper (2015 Europhys. Lett. 109 26003). Subsequently, we provide an efficient semi-empirical alternative to FMMT and show that the phase diagram for spherocylinders is described with similar accuracy in both versions of the theory. Finally, we present a semiempirical modification of FMMT whose predictions for the phase diagram for spherocylinders are in excellent quanti...

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Section: Introductionmentioning

confidence: 90%

Section: Rescaling Of φmentioning

confidence: 99%

Section: Rescaling Of φmentioning

confidence: 99%

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Fundamental measure theory for non-spherical hard particles: predicting liquid crystal properties from the particle shape

Wittmann

Maréchal

Mecke

2016

J. Phys.: Condens. Matter

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Velocity Gradient Power Functional for Brownian Dynamics

Heras

Schmidt

2018

Phys. Rev. Lett.

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We present an explicit and simple approximation for the superadiabatic excess (over ideal gas) free power functional, admitting the study of the nonequilibrium dynamics of overdamped Brownian many-body systems. The functional depends on the local velocity gradient and is systematically obtained from treating the microscopic stress distribution as a conjugate field. The resulting superadiabatic forces are beyond dynamical density functional theory and are of a viscous nature. Their high accuracy is demonstrated by comparison to simulation results.

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Dynamical states in driven colloidal liquid crystals

Cited by 2 publications

References 21 publications

Fundamental measure theory for non-spherical hard particles: predicting liquid crystal properties from the particle shape

Fundamental measure theory for non-spherical hard particles: predicting liquid crystal properties from the particle shape

Velocity Gradient Power Functional for Brownian Dynamics

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