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The Dynamic Density Functional (DDF) theory and standard Brownian dynamics simulations (BDS) are used to study the drifting effects of a colloidal particle in a polymer solution, both for ideal and interacting polymers. The structure of the…

Soft Condensed Matter · Physics 2009-11-10 F. Penna , J. Dzubiella , P. Tarazona

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…

Soft Condensed Matter · Physics 2014-01-28 Raphael Wittkowski , Hartmut Löwen

Superadiabatic dynamical density functional theory (superadiabatic-DDFT), a first-principles approach based on the inhomogeneous two-body correlation functions, is employed to investigate the response of interacting Brownian particles to…

Soft Condensed Matter · Physics 2023-06-23 S. M. Tschopp , H. D. Vuijk , J. M. Brader

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

Colloidal particles that are confined to an interface effectively form a two-dimensional fluid. We examine the dynamics of such colloids when they are subject to a constant external force, which drives them in a particular direction over…

Soft Condensed Matter · Physics 2011-06-24 Andrew J. Archer , Alexandr Malijevsky

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

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

A density functional theory for colloidal dynamics is presented which includes hydrodynamic interactions between the colloidal particles. The theory is applied to the dynamics of colloidal particles in an optical trap which switches…

Soft Condensed Matter · Physics 2009-11-13 M. Rex , H. Loewen

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

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

The Dean-Kawasaki (DK) equation, which is at the basis of stochastic density functional theory (SDFT), was proposed in the mid-nineties to describe the evolution of the density of interacting Brownian particles, which can represent a large…

Soft Condensed Matter · Physics 2025-05-13 Pierre Illien

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

In order to describe the nonisothermal dynamics of two-phase flows or binary mixtures such as colloidal suspensions consisting of colloidal particles and solvent on a microscopic level, we derive a new extended dynamical density functional…

Soft Condensed Matter · Physics 2026-03-06 Michael te Vrugt , Hartmut Löwen , Helmut R. Brand , Raphael Wittkowski

Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…

Chemical Physics · Physics 2012-06-12 Hauke Paulsen , Alfred Xaver Trautwein

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

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

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

Understanding the nanoscale effects controlling the dynamics of a contact line -- defined as the line formed at the junction of two fluid phases and a solid -- has been a longstanding problem in fluid mechanics pushing experimental and…

Fluid Dynamics · Physics 2025-01-06 Andreas Nold , Benjamin D. Goddard , David N. Sibley , 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

Based on Dynamical Density Functional Theory (DDFT) we investigate a binary mixture of interacting Brownian particles driven over a substrate via a one-dimensional ratchet potential. The particles are modeled as soft spheres where one…

Soft Condensed Matter · Physics 2015-06-19 Ken Lichtner , Sabine H. L. Klapp