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In the last 50 years, equilibrium density functional theory (DFT) has been proven to be a powerful, versatile and predictive approach for the statics and structure of classical particles. This theory can be extended to the nonequilibrium…

Soft Condensed Matter · Physics 2021-02-26 Hartmut Löwen

In recent years, a number of dynamical density functional theories (DDFTs) have been developed for describing the dynamics of the one-body density of both colloidal and atomic fluids. In the colloidal case, the particles are assumed to have…

Soft Condensed Matter · Physics 2009-08-10 A. J. Archer

Dynamic density functional theory (DDFT) is a promising approach for predicting the structural evolution of a drying suspension containing one or more types of colloidal particles. The assumed free-energy functional is a key component of…

Soft Condensed Matter · Physics 2022-11-23 Mayukh Kundu , Michael P. Howard

We derive a closed equation for the empirical concentration of colloidal particles in the presence of both hydrodynamic and direct interactions. The ensemble average of our functional Langevin equation reproduces known deterministic Dynamic…

Statistical Mechanics · Physics 2015-06-19 A. Donev , E. Vanden-Eijnden

Over the last few decades, classical density-functional theory (DFT) and its dynamic extensions (DDFTs) have become powerful tools in the study of colloidal fluids. Recently, previous DDFTs for spherically-symmetric particles have been…

Statistical Mechanics · Physics 2016-08-02 Miguel A. Durán-Olivencia , Benjamin D. Goddard , Serafim Kalliadasis

Microswimmers typically operate in complex environments. In biological systems, often diverse species are simultaneously present and interact with each other. Here, we derive a (time-dependent) particle-scale statistical description, namely…

Soft Condensed Matter · Physics 2019-08-13 Christian Hoell , Hartmut Löwen , Andreas M. Menzel

Starting from Newton's equations of motion, we derive a dynamical density functional theory (DDFT) applicable to atomic liquids. The theory has the feature that it requires as input the Helmholtz free energy functional from equilibrium…

Soft Condensed Matter · Physics 2007-05-23 A. J. Archer

We present a dynamic density functional theory (dDFT) which takes into accou nt the advection of the particles by a flowing solvent. For potential flows we can use the same closure as in the absence of solvent flow. The structure of the…

Soft Condensed Matter · Physics 2009-11-13 Markus Rauscher , Alvaro Dominguez , Matthias Krueger , Florencia Penna

We present dynamic density functional theory (DDFT) incorporating general inhomogeneous, incompressible, time dependent background flows and inertia, describing externally driven passive colloidal systems out of equilibrium. We start by…

Soft Condensed Matter · Physics 2024-09-11 Rory D. Mills-Williams , Benjamin D. Goddard , Andrew J. Archer

Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern statistical mechanics. It is an extension of the highly successful method of classical density functional theory (DFT) to nonequilibrium systems.…

Soft Condensed Matter · Physics 2020-12-29 Michael te Vrugt , Hartmut Löwen , Raphael Wittkowski

While the theory of diffusion of a single Brownian particle in confined geometries is well-established by now, we discuss here the theoretical framework necessary to generalize the theory of diffusion to dense suspensions of strongly…

Soft Condensed Matter · Physics 2014-12-18 H. Löwen , M. Heinen

Hydrodynamic density functional theory (DFT) is applied to analyse dynamic contact angles of droplets in order to assess its predictive capability regarding wetting phenomena at the microscopic scale and to evaluate its feasibility for…

Fluid Dynamics · Physics 2025-08-06 Benjamin Bursik , Rolf Stierle , Hamza Oukili , Martin Schneider , Gernot Bauer , Joachim Gross

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…

Soft Condensed Matter · Physics 2014-01-28 Raphael Wittkowski , Hartmut Löwen , Helmut R. Brand

The formalism of density functional theory (DFT) can be easily extended to the time dependent case (TDDFT). However, while in the static case the theory is well established and is expected to be, at least in principle, an exact approach for…

Condensed Matter · Physics 2007-05-23 Sandro Stringari

Classical density functional theory (DFT) is a statistical mechanical theory for calculating the density profiles of the molecules in a liquid. It is widely used, for example. to calculate the density distribution of the molecules in the…

Statistical Mechanics · Physics 2015-07-08 Adam P. Hughes , Uwe Thiele , Andrew J. Archer

We study the dynamics of a colloidal fluid including inertia and hydrodynamic interactions, two effects which strongly influence the non-equilibrium properties of the system. We derive a general dynamical density functional theory (DDFT)…

Statistical Mechanics · Physics 2012-09-24 Benjamin D. Goddard , Andreas Nold , Nikos Savva , Grigorios A. Pavliotis , Serafim Kalliadasis

We study the distribution of colloidal particles confined in drying spherical droplets using both dynamic density functional theory (DDFT) and particle-based simulations. In particular, we focus on the advection-dominated regime typical of…

Soft Condensed Matter · Physics 2025-01-24 Mayukh Kundu , Kritika Kritika , Yashraj M. Wani , Arash Nikoubashman , Michael P. Howard

We establish the global well-posedness of overdamped dynamic density functional theory (DDFT): a nonlinear, nonlocal integro-partial differential equation used in statistical mechanical models of colloidal fluids, and other applications…

Analysis of PDEs · Mathematics 2021-09-15 B. D. Goddard , R. D. Mills-Williams , M. Ottobre , G. Pavliotis

Density functional theory (DFT) is a powerful theoretical tool widely used in such diverse fields as computational condensed matter physics, atomic physics, and quantum chemistry. DFT establishes that a system of $N$ interacting electrons…

Plasma Physics · Physics 2020-04-29 Giovanni Manfredi

The majority of studies on self-propelled particles and microswimmers concentrates on objects that do not feature a deterministic bending of their trajectory. However, perfect axial symmetry is hardly found in reality, and shape-asymmetric…

Statistical Mechanics · Physics 2018-07-18 Christian Hoell , Hartmut Löwen , Andreas M. Menzel
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