Related papers: Onsager-theory-based dynamic model for nematic pha…
Combining molecular simulation, Onsager theory and the elastic description of nematic liquid crystals, we study the dependence of the nematic liquid crystal elastic constants and the zenithal surface anchoring coefficient on the value of…
In this paper we compare three frameworks for modeling flows of complex fluids: (i) local conservations of mass, momentum and energy, (ii) GENERIC, and (iii) Onsager principle. The first is based on the mass, momentum, and energy…
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…
The continuum theory of partially fluidized shear granular flows is tested and calibrated using two dimensional soft particle molecular dynamics simulations. The theory is based on the relaxational dynamics of the order parameter that…
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…
The local balance equations for the density, momentum, and energy of a dilute gas of elastic or inelastic hard spheres, strongly confined between two parallel hard plates are obtained. The starting point is a Boltzmann-like kinetic…
We propose a systematic formulation of the migration behaviors of a vesicle in a Poiseuille flow based on Onsager's variational principle. Our model is described by a combination of the phase field theory for the vesicle and the…
A kinetic model for granular mixtures is considered to study three different non-equilibrium situations. The model is based on the equivalence between a gas of elastic hard spheres subjected to a drag force proportional to the particle…
We investigate the isotropic-to-nematic phase transition in systems of hard helical particles, using Onsager theory and Monte Carlo computer simulations. Motivation of this work resides in the ubiquity of the helical shape motif in many…
In the present contribution, we derive from kinetic theory a unified fluid model for multicomponent plasmas by accounting for the electromagnetic field influence. We deal with a possible thermal nonequilibrium of the translational energy of…
We present a novel computational modeling framework to numerically investigate fluid-structure interaction in viscous fluids using the phase field embedding method. Each rigid body or elastic structure immersed in the incompressible viscous…
The shape dynamics of fluid vesicles is governed by the coupling of the flow within the two-dimensional membrane to the hydrodynamics of the surrounding bulk fluid. We present a numerical scheme which is capable of solving this flow problem…
The structure and dynamics of important biological quasi-two-dimensional systems, ranging from cytoskeletal gels to tissues, are controlled by nematic order, flow, defects and activity. Continuum hydrodynamic descriptions combined with…
Spontaneous onset of a low temperature topologically ordered phase in a 2-dimensional (2D) lattice model of uniaxial liquid crystal (LC) was debated extensively pointing to a suspected underlying mechanism affecting the RG flow near the…
Liquid crystals establish a nearly unique combination of thermodynamic, hydrodynamic, and topological behavior. This poses a challenge to their theoretical understanding and modeling. The arena where these effects come together is the…
The description of a stellar system as a continuous fluid represents a convenient first approximation to stellar dynamics, and its derivation from the kinetic theory is standard. The challenge lies in providing adequate closure…
Direct numerical simulation of microscale fluid--structure interactions in multicomponent and multiphase flows requires methods that can represent moving boundaries together with fields constrained to evolving interfaces. Diffuse-domain…
Molecular dynamics simulations are carried out to investigate the diffusion behavior of penetrable-sphere model fluids characterized by a finite energy barrier $\epsilon$. The self-diffusion coefficient is evaluated from the time-dependent…
We present a novel framework for the study of disclinations in two-dimensional active nematic liquid crystals, and topological defects in general. The order tensor formalism is used to calculate exact multi-particle solutions of the…
The nonlinear elastic properties of nematic liquid crystals have acquired new interest with the recent experimental observation of bulk modulated nematic phases which are composed by achiral molecules. We extend the Oseen-Zocher-Frank's…