Related papers: Onsager-theory-based dynamic model for nematic pha…
A new class of integro-partial differential equation models is derived for the prediction of granular flow dynamics. These models are obtained using a novel limiting averaging method (inspired by techniques employed in the derivation of…
We carry out a detailed comparison of soft particle molecular dynamics simulations with the theory of partially fluidized shear granular flows. We verify by direct simulations a constitutive relation based on the separation of the shear…
The effects of dipolar interactions and molecular flexibility on the structure and phase behavior of bent-core molecular fluids are studied using Monte Carlo computer simulations. Some calculations of flexoelectric coefficients are also…
The hydrodynamic conservation equations and constitutive relations for a binary granular mixture composed of smooth, nearly elastic, hard spheres with non-equipartition energies and different mean velocities are derived. This research is…
We use molecular dynamics simulations to study the evaporation of particle-laden droplets on a heated surface. The droplets are composed of a Lennard-Jones fluid containing rigid particles which are spherical sections of an atomic lattice,…
We present a general, constructive method to derive thermodynamically consistent models and consistent dynamic boundary conditions hierarchically following the generalized Onsager principle. The method consists of two steps in tandem: the…
Recently, Tavarone et al. (J. Chem. Phys. 143, 114505 (2015)) discussed phase behavior of zig-zag and bow-shaped particles composed of three needles. The authors presented very interesting results of extensive Monte Carlo simulations with…
The motion of the three-phase contact line between two immiscible fluids and a solid surface arises in a variety of wetting phenomena and technological applications. One challenge in continuum theory is the effective representation of…
Starting from a dynamic tensor model about two second-order tensors, we derive the frame hydrodynamics for the biaxial nematic phase using the Hilbert expansion. The coefficients in the frame model are derived from those in the tensor…
We explore models of hard-rod fluids with a finite number of allowed orientations, and construct their bulk phase diagrams within Onsager's second virial theory. For a one-component fluid, we show that the discretization of the orientations…
Many vesicles have a spherical resting shape and exposure to fluid flows induces an exchange between sub-optical area and visible (systematic) deformation, while the total area is conserved. The dynamics which controls the exchange between…
We propose a continuum model to describe the molecular alignment in thin nematic shells. By contrast with previous accounts, the two-dimensional free energy, aimed at describing the physics of thin films of nematics deposited on curved…
The properties of liquid crystals can be modelled using an order parameter which describes the variability of the local orientation of rod-like molecules. Defects in the director field can arise due to external factors such as applied…
Granular systems confined in a shallow box and driven by vertical vibration provide a simple geometry to study fluidized granular media. Grains gain kinetic energy vertically through collisions with the walls and redistribute it…
We study the relationship between Onsager's molecular theory and the Oseen-Frank theory for nematic liquid crystals. Under the molecular setting, we consider the free energy that includes the effects of nonlocal molecular interactions. By…
Boltzmann equation requires some alternative simpler kinetic model like BGK to replace the collision term. Such a kinetic model which replaces the Boltzmann collision integral should preserve the basic properties and characteristics of the…
We investigate shear-induced crystallization in a very dense flow of mono-disperse inelastic hard spheres. We consider a steady plane Couette flow under constant pressure and neglect gravity. We assume that the granular density is greater…
A vibrational model of transport properties of dense fluids assumes that solid-like oscillations of atoms around their temporary equilibrium positions dominate the dynamical picture. The temporary equilibrium positions of atoms do not form…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
We introduce an algorithmic framework based on tensor networks for computing fluid flows around immersed objects in curvilinear coordinates. We show that the tensor network simulations can be carried out solely using highly compressed…