3,070 research outputs found
Fast, Scalable, and Interactive Software for Landau-de Gennes Numerical Modeling of Nematic Topological Defects
Numerical modeling of nematic liquid crystals using the tensorial Landau-de
Gennes (LdG) theory provides detailed insights into the structure and
energetics of the enormous variety of possible topological defect
configurations that may arise when the liquid crystal is in contact with
colloidal inclusions or structured boundaries. However, these methods can be
computationally expensive, making it challenging to predict (meta)stable
configurations involving several colloidal particles, and they are often
restricted to system sizes well below the experimental scale. Here we present
an open-source software package that exploits the embarrassingly parallel
structure of the lattice discretization of the LdG approach. Our
implementation, combining CUDA/C++ and OpenMPI, allows users to accelerate
simulations using both CPU and GPU resources in either single- or multiple-core
configurations. We make use of an efficient minimization algorithm, the Fast
Inertial Relaxation Engine (FIRE) method, that is well-suited to large-scale
parallelization, requiring little additional memory or computational cost while
offering performance competitive with other commonly used methods. In
multi-core operation we are able to scale simulations up to supra-micron length
scales of experimental relevance, and in single-core operation the simulation
package includes a user-friendly GUI environment for rapid prototyping of
interfacial features and the multifarious defect states they can promote. To
demonstrate this software package, we examine in detail the competition between
curvilinear disclinations and point-like hedgehog defects as size scale,
material properties, and geometric features are varied. We also study the
effects of an interface patterned with an array of topological point-defects.Comment: 16 pages, 6 figures, 1 youtube link. The full catastroph
Computational fluid dynamics for nematic liquid crystals
Due to recent advances in fast iterative solvers in the field of computational fluid dynamics, more complex problems which were previously beyond the scope of standard techniques can be tackled. In this paper, we describe one such situation, namely, modelling the interaction of flow and molecular orientation in a complex fluid such as a liquid crystal. Specifically, we consider a nematic liquid crystal in a spatially inhomogeneous flow situation where the orientational order is described by a second rank alignment tensor. The evolution is determined by two coupled equations: a generalised Navier-Stokes equation for flow in which the divergence of the stress tensor also depends on the alignment tensor and its time derivative, and a convection-diffusion type equation with non-linear terms that stem from a Landau-Ginzburg-DeGennes potential for the alignment. In this paper, we use a specific model with three viscosity coefficients that allows the contribution of the orientation to the viscous stress to be cast in the form of an orientation-dependent force. This effectively decouples the flow and orientation, with each appearing only on the right-hand side of the other equation. In this way, difficulties associated with solving the fully coupled problem are circumvented and a stand-alone fast solver, such as the state-of-the-art preconditioned iterative solver implemented here, can be used for the flow equation. A time-discretised strategy for solving the flow-orientation problem is illustrated using the example of Stokes flow in a lid-driven cavity
Steady-state hydrodynamic instabilities of active liquid crystals: Hybrid lattice Boltzmann simulations
We report hybrid lattice Boltzmann (HLB) simulations of the hydrodynamics of
an active nematic liquid crystal sandwiched between confining walls with
various anchoring conditions. We confirm the existence of a transition between
a passive phase and an active phase, in which there is spontaneous flow in the
steady state. This transition is attained for sufficiently ``extensile'' rods,
in the case of flow-aligning liquid crystals, and for sufficiently
``contractile'' ones for flow-tumbling materials. In a quasi-1D geometry, deep
in the active phase of flow-aligning materials, our simulations give evidence
of hysteresis and history-dependent steady states, as well as of spontaneous
banded flow. Flow-tumbling materials, in contrast, re-arrange themselves so
that only the two boundary layers flow in steady state. Two-dimensional
simulations, with periodic boundary conditions, show additional instabilities,
with the spontaneous flow appearing as patterns made up of ``convection
rolls''. These results demonstrate a remarkable richness (including dependence
on anchoring conditions) in the steady-state phase behaviour of active
materials, even in the absence of external forcing; they have no counterpart
for passive nematics. Our HLB methodology, which combines lattice Boltzmann for
momentum transport with a finite difference scheme for the order parameter
dynamics, offers a robust and efficient method for probing the complex
hydrodynamic behaviour of active nematics.Comment: 18 eps figures, accepted for publication in Phys. Rev.
Nlcviz: Tensor Visualization And Defect Detection In Nematic Liquid Crystals
Visualization and exploration of nematic liquid crystal (NLC) data is a challenging task due to the multidimensional and multivariate nature of the data. Simulation study of an NLC consists of multiple timesteps, where each timestep computes scalar, vector, and tensor parameters on a geometrical mesh. Scientists developing an understanding of liquid crystal interaction and physics require tools and techniques for effective exploration, visualization, and analysis of these data sets. Traditionally, scientists have used a combination of different tools and techniques like 2D plots, histograms, cut views, etc. for data visualization and analysis. However, such an environment does not provide the required insight into NLC datasets. This thesis addresses two areas of the study of NLC data---understanding of the tensor order field (the Q-tensor) and defect detection in this field. Tensor field understanding is enhanced by using a new glyph (NLCGlyph) based on a new design metric which is closely related to the underlying physical properties of an NLC, described using the Q-tensor. A new defect detection algorithm for 3D unstructured grids based on the orientation change of the director is developed. This method has been used successfully in detecting defects for both structured and unstructured models with varying grid complexity
Ordering dynamics of blue phases entails kinetic stabilization of amorphous networks
The cubic blue phases of liquid crystals are fascinating and technologically
promising examples of hierarchically structured soft materials, comprising
ordered networks of defect lines (disclinations) within a liquid crystalline
matrix. We present the first large-scale simulations of their domain growth,
starting from a blue phase nucleus within a supercooled isotropic or
cholesteric background. The nucleated phase is thermodynamically stable; one
expects its slow orderly growth, creating a bulk cubic. Instead, we find that
the strong propensity to form disclinations drives the rapid disorderly growth
of a metastable amorphous defect network. During this process the original
nucleus is destroyed; re-emergence of the stable phase may therefore require a
second nucleation step. Our findings suggest that blue phases exhibit
hierarchical behavior in their ordering dynamics, to match that in their
structure.Comment: 11 pages, 5 figures, 2 supplementary figures, 2 supplementary tables,
accepted by PNA
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