Dynamical density functional theory with hydrodynamic interaction

Nonlinear hydrodynamic theory of crystallization

We present an isothermal fluctuating nonlinear hydrodynamic theory of crystallization in molecular liquids. A dynamic coarse-graining technique is used to derive the velocity field, a phenomenology, which allows a direct coupling between the free energy functional of the classical Density Functional Theory and the Navier-Stokes equation. Contrary to the Ginzburg-Landau type amplitude theories, the dynamic response to elastic deformations is described by parameter-free kinetic equations. Employing our approach to the free energy functional of the Phase-Field Crystal model, we recover the classi…

Fluctuating hydrodynamics and correlation lengths in a driven granular fluid

Static and dynamical structure factors for shear and longitudinal modes of the velocity and density fields are computed for a granular system fluidized by a stochastic bath with friction. Analytical expressions are obtained through fluctuating hydrodynamics and are successfully compared with numerical simulations up to a volume fraction $\sim 50%$. Hydrodynamic noise is the sum of external noise due to the bath and internal one due to collisions. Only the latter is assumed to satisfy the fluctuation-dissipation relation with the average granular temperature. Static velocity structure factors $…

Atomistic Hydrodynamics and the Dynamical Hydrophobic Effect in Porous Graphene

Mirroring their role in electrical and optical physics, two-dimensional crystals are emerging as novel platforms for fluid separations and water desalination, which are hydrodynamic processes that occur in nanoscale environments. For numerical simulation to play a predictive and descriptive role, one must have theoretically sound methods that span orders of magnitude in physical scales, from the atomistic motions of particles inside the channels to the large-scale hydrodynamic gradients that drive transport. Here, we use constraint dynamics to derive a nonequilibrium molecular dynamics method …

Dynamical density functional theory: binary phase-separating colloidal fluid in a cavity

The dynamical density functional theory of Marconi and Tarazona [J. Chem. Phys., 110, 8032 (1999)], a theory for the non-equilibrium dynamics of the one-body density profile of a colloidal fluid, is applied to a binary fluid mixture of repulsive Gaussian particles confined in a spherical cavity of variable size. For this model fluid there exists an extremely simple Helmholtz free energy functional that provides a remarkably accurate description of the equilibrium fluid properties. We therefore use this functional to test the assumptions implicit in the dynamical density functional theory, rath…

Polymer collapse in the presence of hydrodynamic interactions

We investigate numerically the dynamical behaviour of a polymer chain collapsing in a dilute solution. The rate of collapse is measured with and without the presence of hydrodynamic interactions. We find that hydrodynamic interactions both accelerate polymer collapse and alter the folding pathway.

Chiral Metric Hydrodynamics, Kelvin Circulation Theorem, and the Fractional Quantum Hall Effect

By extending the Poisson algebra of ideal hydrodynamics to include a two-index tensor field, we construct a new (2+1)-dimensional hydrodynamic theory that we call "chiral metric hydrodynamics." The theory breaks spatial parity and contains a degree of freedom which can be interpreted as a dynamical metric, and describes a medium which behaves like a solid at high frequency and a fluid with odd viscosity at low frequency. We derive a version of the Kelvin circulation theorem for the new hydrodynamics, in which the vorticity is replaced by a linear combination of the vorticity and the dynamical …

Hydrodynamic synchronization of externally driven colloids

The collective dynamics of externally driven $N_{\rm p}$-colloidal systems ($1\le N_{\rm p}\le 4$) in a confined viscous fluid have been investigated using three-dimensional direct numerical simulations with fully resolved hydrodynamics. The dynamical modes of collective particle motion are studied by changing the particle Reynolds number {as determined by the strength of the external driving force} and the confining wall distance. For a system with $N_{\rm p}= 3$, we found that at a critical Reynolds number, a dynamical mode transition occurs from the doublet-singlet mode to the triplet mode,…

Hydrodynamically-bound states of a pair of microrollers: a dynamical system insight

Recent work has identified persistent cluster states which were shown to be assembled and held together by hydrodynamic interactions alone [Driscoll \textit{et al.} (2017) Nature Physics, 13(4), 375]. These states were seen in systems of colloidal microrollers; microrollers are colloidal particles which rotate about an axis parallel to the floor and generate strong, slowly decaying, advective flows. To understand these bound states, we study a simple, yet rich, model system of two microrollers. Here we show that pairs of microrollers can exhibit hydrodynamic bound states whose nature depends o…

流体动力学欧拉 - 弹性体：斯托克斯流中弹性细丝动态屈曲的形状转变

The hydrodynamic Euler-elastica: shape transitions in the dynamical buckling of elastic filaments in Stokes flow

研究斯托克斯流中弹性细丝动态屈曲的形状转变，用粗粒度数值模型揭示三种形态状态，由无量纲屈曲数主导，傅里叶分析表明状态转变源于曲率模式竞争，发现不同形状对小扰动敏感，弥合了静态和动态屈曲理论。

Extended dynamical density functional theory for colloidal mixtures with temperature gradients

In the past decade, classical dynamical density functional theory (DDFT) has been developed and widely applied to the Brownian dynamics of interacting colloidal particles. One of the possible derivation routes of DDFT from the microscopic dynamics is via the Mori-Zwanzig-Forster projection operator technique with slowly varying variables such as the one-particle density. Here, we use the projection operator approach to extend DDFT into various directions: first, we generalize DDFT toward mixtures of $n$ different species of spherical colloidal particles. We show that there are in general nontr…

Dynamical regimes and hydrodynamic lift of viscous vesicles under shear

The dynamics of two-dimensional viscous vesicles in shear flow, with different fluid viscosities $η_{\rm in}$ and $η_{\rm out}$ inside and outside, respectively, is studied using mesoscale simulation techniques. Besides the well-known tank-treading and tumbling motions, an oscillatory swinging motion is observed in the simulations for large shear rate. The existence of this swinging motion requires the excitation of higher-order undulation modes (beyond elliptical deformations) in two dimensions. Keller-Skalak theory is extended to deformable two-dimensional vesicles, such that a dynamical pha…

Dynamical density functional theory for colloidal particles with arbitrary shape

Starting from the many-particle Smoluchowski equation, we derive dynamical density functional theory for Brownian particles with an arbitrary shape. Both passive and active (self-propelled) particles are considered. The resulting theory constitutes a microscopic framework to explore the collective dynamical behavior of biaxial particles in nonequilibrium. For spherical and uniaxial particles, earlier derived dynamical density functional theories are recovered as special cases. Our study is motivated by recent experimental progress in preparing colloidal particles with many different biaxial sh…

Field-driven dynamical demixing of binary mixtures

We consider mixtures of two species of spherical colloidal particles that differ in their hydrodynamic radii, but are otherwise identical, in the presence of an external field. Since the particle-particle and particle-field interactions are the same for both species, they are completely mixed in the thermodynamic limit in the presence of any static field. Here, we combine Brownian Dynamics and Dynamic Density Functional theory of fluids to show that for sufficiently large differences in the hydrodynamic radius of the particles (and corresponding differences in their electrophoretic mobilities)…

Mean-field dynamical density functional theory

We examine the out-of-equilibrium dynamical evolution of density profiles of ultrasoft particles under time-varying external confining potentials in three spatial dimensions. The theoretical formalism employed is the dynamical density functional theory (DDFT) of Marini Bettolo Marconi and Tarazona [J. Chem. Phys. {\bf 110}, 8032 (1999)], supplied by an equilibrium excess free energy functional that is essentially exact. We complement our theoretical analysis by carrying out extensive Brownian Dynamics simulations. We find excellent agreement between theory and simulations for the whole time ev…