Related papers: Onsager-theory-based dynamic model for nematic pha…
In this paper, we introduce a new approach to solving the porous medium equation using a moving mesh finite element method that leverages the Onsager variational principle as an approximation tool. Both the continuous and discrete problems…
A model linking the molecular-scale dynamics of fluids confined to nano-pores to nuclear magnetic resonance (NMR) relaxation rates is proposed. The model is fit to experimental NMR dispersions for water and oil in an oil shale assuming that…
We use a novel non-equilibrium algorithm to simulate steady-state fluid transport through a two-dimensional (2D) membrane due to a concentration gradient by molecular dynamics (MD) for the first time. We confirm that, as required by the…
Enskog-Vlasov equation is currently the most sophisticated kinetic model for describing non-equilibrium evaporative flows. While it enables more efficient simulations than the molecular dynamics (MD) methods, its accuracy in reproducing the…
This study explores how molecular shape changes influence the phase behavior of liquid crystals, particularly the nematic (N) phase of 5CB, through all-atom molecular dynamics (MD) simulations. The results demonstrate that molecular shape…
A new kinetic model for multiphase flow was presented under the framework of the discrete Boltzmann method (DBM). Significantly different from the previous DBM, a bottom-up approach was adopted in this model. The effects of molecular size…
I put forward a continuum theory for active nematic gels, defined as fluids or suspensions of orientable rodlike objects endowed with active dynamics, that is based on symmetry arguments and compatibility with thermodynamics. The starting…
We consider a binary fluid mixture, which lies in the one-phase region near the demixing critical point, and study its transport through a capillary tube linking two large reservoirs. We assume that short-range interactions cause…
Continuum models of active nematic gels have proved successful to describe a number of biological systems consisting of a population of rodlike motile subunits in a fluid environment. However, in order to get a thorough understanding of the…
This research presents a model that accurately represents the motions of gaseous stars We employ the Navier-Stokes-Poisson system to transform compressible Euler equations into non-compressible ones by combining quasineutral and inviscid…
A generalized notion of a nonlocal tensor order parameter is introduced within the framework of the phenomenological approach. This parameter has the form of a traceless tensor correlation function or a tensor integral operator. Based on…
We investigate a hydrodynamic system of Navier--Stokes/Cahn--Hilliard type, which describes the motion of a two-phase flow of two incompressible fluids with unmatched densities coupled with a soluble chemical species. Derived from Onsager's…
Onsager's irreversible thermodynamics is used to perform a systematic deduction of the kinetic equations governing the opening and collapse of transient pores in spherical vesicles. We show that the edge tension has to be determined from…
We show how dynamical equations for liquid films and drops on uneven surfaces, including contact line dynamics and evaporation/condensation effects, may be formulated as a variational dynamics, generated via Onsager's variational principle.…
We propose a continuum tensorial model for chiral smectic C (SmC$^*$) liquid crystals using a tensor-valued order parameter $\mathbf{Q}$ to describe orientational order and a real-valued order parameter $\delta\rho$ to capture layer…
We set up a discrete space-time dynamical model of molecules with thermalised kinetic energy and repulsive cores, in an external potential. The state is specified by a probability on the sample space. One time-step is given by a…
We consider a continuum model describing the dynamic behavior of nematic liquid crystal elastomers (LCEs) and implement a numerical scheme to solve the governing equations. In the model, the Helmholtz free energy and Rayleigh dissipation…
We use molecular dynamics to study the ordering of a nematic liquid crystal around a spherical particle or droplet. Homeotropic boundary conditions and strong anchoring create a hedgehog director configuration on the particle surface and in…
In this paper, we consider a hydrodynamic $Q$-tensor system for nematic liquid crystal flow, which is derived from Doi-Onsager molecular theory by the Bingham closure. We first prove the existence and uniqueness of local strong solution.…
The transport coefficients of a dilute gas of inelastic hard spheres immersed in a molecular gas are determined. We assume that the number density of the granular gas is much smaller than that of the surrounding molecular gas, so that the…