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Dynamical density functional theory (DDFT) is a powerful variational framework to study the nonequilibrium properties of colloids by only considering a time-dependent one-body number density. Despite the large number of recent successes,…

Soft Condensed Matter · Physics 2021-01-13 René Wittmann , Hartmut Löwen , Joseph M. Brader

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

For classical many-body systems subject to Brownian dynamics we develop a superadiabatic dynamical density functional theory (DDFT) for the description of inhomogeneous fluids out-of-equilibrium. By explicitly incorporating the dynamics of…

Soft Condensed Matter · Physics 2022-12-20 S. M. Tschopp , J. M. Brader

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

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

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

Odd-diffusive systems are characterized by transverse responses and exhibit unconventional behaviors in interacting systems. To address the dynamical interparticle rearrangements in a minimal system, we here exactly solve the problem of two…

Statistical Mechanics · Physics 2024-07-19 Amelie Langer , Abhinav Sharma , Ralf Metzler , Erik Kalz

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

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

Classical density functional theory (DFT) provides an exact variational framework for determining the equilibrium properties of inhomogeneous fluids. We report a generalization of DFT to treat the non-equilibrium dynamics of classical…

Soft Condensed Matter · Physics 2013-09-06 Matthias Schmidt , Joseph M. Brader

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…

Soft Condensed Matter · Physics 2009-11-10 J. Dzubiella , C. N. Likos

Stimuli-responsive macromolecules display large conformational changes during their dynamics, sometimes switching states, and are an integral property for the development of soft functional materials. Here, we introduce a mean-field…

Soft Condensed Matter · Physics 2024-07-02 José López-Molina , Sebastien Groh , Joachim Dzubiella , Arturo Moncho-Jordá

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

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

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

Classical dynamical density functional theory (DDFT) has become one of the central modeling approaches in nonequilibrium soft matter physics. Recent years have seen the emergence of novel and interesting fields of application for DDFT. In…

Soft Condensed Matter · Physics 2023-03-21 Michael te Vrugt , Raphael Wittkowski

The superadiabatic dynamical density functional theory (superadiabatic-DDFT) is a promising new method for the study of colloidal systems out-of-equilibrium. Within this approach the viscous forces arising from interparticle interactions…

Soft Condensed Matter · Physics 2024-06-10 S. M. Tschopp , J. M. Brader

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

Classical Density Functional Theory (DFT) is a statistical-mechanical framework to analyze fluids, which accounts for nanoscale fluid inhomogeneities and non-local intermolecular interactions. DFT can be applied to a wide range of…

Computational Engineering, Finance, and Science · Computer Science 2017-02-07 Andreas Nold , Benjamin D. Goddard , Peter Yatsyshin , Nikos Savva , Serafim Kalliadasis

Using dynamical density functional theory (DDFT) methods we investigate the laning instability of a sheared colloidal suspension. The nonequilibrium ordering at the laning transition is driven by non-affine particle motion arising from…

Soft Condensed Matter · Physics 2018-01-03 Alberto Scacchi , Andrew J. Archer , Joseph M. Brader
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