Related papers: On a molecular based Q-tensor model for liquid cry…
A parameterization strategy for molecular models on the basis of force fields is proposed, which allows a rapid development of models for small molecules by using results from quantum mechanical (QM) ab initio calculations and thermodynamic…
Liquid crystal elastomers are special cross-linked polymer materials combining the large elastic deformability of elastomers with the orientational orders of liquid crystals. This model exhibits markedly different phenomena than the liquid…
Using a generalized order parameter gradient expansion within density functional theory, we derive a phase-field-crystal model for liquid crystals composed by apolar particles in three spatial dimensions. Both the translational density and…
In this article we discuss nonstationary models for inhomogeneous liquid crystals driven out of equilibrium by flow. Emphasis is put on those models which are used in the mathematics as well as in the physics literature, the overall goal…
Phase-ordering dynamics in nematic liquid crystals has been the subject of much active investigation in recent years in theory, experiments and simulations. With a rapid quench from the isotropic to nematic phase a large number of…
We discuss a finite-plasticity model based on the symmetric tensor $P^T P$ instead of the classical plastic strain $P$. Such a model structure arises from assuming that the material behavior is invariant with respect to frame…
The paper studies a higher-order diffusion model of Maxwell-Stefan kind. The model is based upon higher-order moment equations of kinetic theory of mixtures, which include viscous dissipation in the model. Governing equations are analyzed…
Present work is a theoretical study on the stability of the thermotropic biaxial nematic liquid crystal phase in model systems. Its main aim is to present the phase diagrams of spatially uniform liquid mesophases and to identify the…
This work is concerned with the solvability of a Navier-Stokes/$Q$-tensor coupled system modeling the nematic liquid crystal flow on a bounded domain in three dimensional Euclidian space with strong anchoring boundary condition for the…
We study the kinetics of the nematic-isotropic transition in a two-dimensional liquid crystal by using a lattice Boltzmann scheme that couples the tensor order parameter and the flow consistently. Unlike in previous studies, we find the…
We introduce a new mesoscopic model for nematic liquid crystals (LCs). We extend the particle-based stochastic rotation dynamics method, which reproduces the Navier-Stokes equation, to anisotropic fluids by including a simplified…
We present rigorous error estimates towards a first-order unconditionally energy stable scheme designed for 3D hydrodynamic Q-tensor model of nematic liquid crystals. This scheme combines the scalar auxiliary variable (SAV), stabilization…
We present a systematic derivation of thermodynamically consistent hydrodynamic phase field models for compressible viscous fluid mixtures using the generalized Onsager principle. By maintaining momentum conservation while enforcing mass…
In materials science the phase field crystal approach has become popular to model crystallization processes. Phase field crystal models are in essence Landau-Ginzburg-type models, which should be derivable from the underlying microscopic…
In this article, we study minimization of the Landau-de Gennes energy for liquid crystal elastomer.The total energy, is of the sum of the Lagrangian elastic stored energy function of the elastomer and the Eulerian Landau-de Gennes energy of…
A quasi-entropy is constructed for tensors averaged by a density function on $SO(3)$ using the log-determinant of a covariance matrix. It serves as a substitution of the entropy for tensors derived from a constrained minimization that…
A lattice Boltzmann (LB) scheme is described which recovers the equations developed by Qian--Sheng for the hydrodynamics of a nematic liquid crystal with a tensor order parameter. The standard mesoscopic LB scalar density is generalised to…
Molecular dynamics simulations are indispensable for exploring the behavior of atoms and molecules. Grounded in quantum mechanical principles, quantum molecular dynamics provides high predictive power but its computational cost is dominated…
We study the hydrodynamics of compressible flows of active liquid crystals in the Beris-Edwards hydrodynamics framework, using the Landau-de Gennes $Q$-tensor order parameter to describe liquid crystalline ordering. We prove the existence…
We analyze one of the simplest active suspensions with complex dynamics: a suspension of immotile "Extensor" particles that exert active extensile dipolar stresses on the fluid in which they are immersed. This is relevant to several…