Related papers: Onsager-theory-based dynamic model for nematic pha…
Classical nucleation theory offers a good framework for understanding the common features of new phase formation processes in metastable homogeneous media at rest. However, nucleation processes in liquids are ubiquitously affected by…
We develop a unified kinetic theory for ordered fluids, which systematically extends the phase space with the appropriate generalized angular momenta. Our theory yields a uniquely determined mesoscopic model for any continuum with…
Fluid phase equilibria involving nano-dispersed phases, where at least one of the coexisting phases is confined to a small volume, are investigated by molecular dynamics simulation. Complementing previous studies on nanoscopic droplets,…
In this paper, we present a general numerical platform for designing accurate, efficient, and stable numerical algorithms for incompressible hydrodynamic models that obeys the thermodynamical laws. The obtained numerical schemes are…
The kinetic theory for a fluid of hard spheres which undergo endothermic and/or exothermic reactions with mass transfer is developed. The exact balance equations for concentration, density, velocity and temperature are derived. The Enskog…
A collisional model of a confined quasi-two-dimensional granular mixture is considered to analyze homogeneous steady states. The model includes an effective mechanism to transfer the kinetic energy injected by vibration in the vertical…
Molecular dynamics simulation has been used to model pattern formation in three-dimensional Rayleigh--Benard convection at the discrete-particle level. Two examples are considered, one in which an almost perfect array of hexagonally-shaped…
By using the Onsager principle as an approximation tool, we give a novel derivation for the moving finite element method for gradient flow equations. We show that the discretized problem has the same energy dissipation structure as the…
This work reconsiders the Becker-Doering model for nucleation under isothermal conditions in the presence of phase transitions. Based on thermodynamic principles a modified model is derived where the condensation and evaporation rates may…
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…
Liquid crystals with molecules constrained to the tangent bundle of a curved surface show interesting phenomena resulting from the tight coupling of the elastic and bulk free energies of the liquid crystal with geometric properties of the…
Granular gaseous mixtures under rapid flow conditions are usually modeled by a multicomponent system of smooth inelastic hard spheres with constant coefficients of normal restitution. In the low density regime an adequate framework is…
We derive thermodynamically consistent models of reaction-diffusion equations coupled to a heat equation. While the total energy is conserved, the total entropy serves as a driving functional such that the full coupled system is a gradient…
In this work we investigate the dynamical properties of a mixture of mutually interacting spherical molecules of different masses and sizes. From an analysis of the microscopic laws governing the motion of the molecules we derive a set of…
We present a new hydrodynamic model for incompressible binary fluids that is thermodynamically consistent and non-isothermal. This model follows the generalized Onsager principle and Boussinesq approximation and preserves the volume of each…
This chapter is about the modeling of nematic liquid crystals (LCs) and their numerical simulation. We begin with an overview of the basic physics of LCs and discuss some of their many applications. Next, we delve into the modeling…
We carry out Monte Carlo simulations to investigate the effect of molecular shape on liquid-crystal order. In our approach, each model mesogen consists of several soft spheres bonded rigidly together. The arrangement of the spheres may be…
Motivated by the reported peculiar dynamics of a red blood cell in shear flow, we develop an analytical theory for the motion of a nearly--spherical fluid particle enclosed by a visco--elastic incompressible interface in linear flows. The…
A thermodynamically consistent particle-based model for fluid dynamics with continuous velocities and a non-ideal equation of state is presented. Excluded volume interactions are modeled by means of biased stochastic multiparticle…
Motivated by problems arising in tear film dynamics, we present a model for the extensional flow of thin sheets of nematic liquid crystal. The rod-like molecules of these substances impart an elastic contribution to its response. We rescale…