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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…

软凝聚态物质 · 物理学 2014-01-28 Raphael Wittkowski , Hartmut Löwen , Helmut R. Brand

A system of soft ellipsoid molecules confined between two planar walls is studied using classical Density Functional Theory (DFT). Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different…

材料科学 · 物理学 2009-11-10 David Cheung , Friederike Schmid

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…

软凝聚态物质 · 物理学 2013-09-06 Matthias Schmidt , Joseph M. Brader

In the present paper we give a brief summary of some recent theoretical advances in the treatment of inhomogeneous fluids and methods which have applications in the study of dynamical properties of liquids in situations of extreme…

统计力学 · 物理学 2015-07-15 Umberto Marini Bettolo Marconi , Simone Melchionna

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…

软凝聚态物质 · 物理学 2024-09-11 Rory D. Mills-Williams , Benjamin D. Goddard , Andrew J. Archer

We describe a test particle approach based on dynamical density functional theory (DDFT) for studying the correlated time evolution of the particles that constitute a fluid. Our theory provides a means of calculating the van Hove…

软凝聚态物质 · 物理学 2011-03-17 Paul Hopkins , Andrea Fortini , Andrew Archer , Matthias Schmidt

We present the exact adiabatic theory for the dynamics of the inhomogeneous density distribution of a classical fluid. Erroneous particle number fluctuations of dynamical density functional theory are absent, both for canonical and grand…

软凝聚态物质 · 物理学 2016-05-25 Daniel de las Heras , Joseph M. Brader , Andrea Fortini , Matthias Schmidt

We aim to clarify confusions in the literature as to whether or not dynamical density functional theories for the one-body density of a classical Brownian fluid should contain a stochastic noise term. We point out that a stochastic as well…

统计力学 · 物理学 2007-05-23 Andrew J. Archer , Markus Rauscher

Two-dimensional mixtures of dipolar colloidal particles with different dipole moments exhibit extremely rich self-assembly behaviour and are relevant to a wide range of experimental systems, including charged and super-paramagnetic colloids…

软凝聚态物质 · 物理学 2019-04-16 W. R. C. Somerville , J. L. Stokes , A. M. Adawi , T. S. Horozov , A. J. Archer , D. M. A. Buzza

Motivated by recent studies on the dynamics of colloidal solutions in narrow channels, we consider the steady state properties of an assembly of non interacting particles subject to the action of a traveling potential moving at a constant…

软凝聚态物质 · 物理学 2009-11-13 Pedro Tarazona , Umberto Marini Bettolo Marconi

The dynamical properties of classical fluids at pico-liter scale attract experimentally and theoretically much attention in the soft-matter and biophysics communities, due to the appearance of the microfluidics, also called 'lab-on-a-chip',…

统计力学 · 物理学 2007-05-23 F. Penna , P. Tarazona

Using a simple mean-field density functional theory theory (DFT), we investigate the structure and phase behaviour of a model colloidal fluid composed of particles interacting via a pair potential which has a hard core of diameter $\sigma$,…

软凝聚态物质 · 物理学 2007-05-23 A. J. Archer , D. Pini , R. Evans , L. Reatto

Although density functional theory provides reliable predictions for the static properties of simple fluids under confinement, a theory of comparative accuracy for the transport coefficients has yet to emerge. Nonetheless, there is evidence…

A fundamental assumption of the dynamical density functional theory (DDFT) of colloidal systems is that a grand-canonical free energy functional may be employed to generate the thermodynamic driving forces. Using one-dimensional hard-rods…

软凝聚态物质 · 物理学 2013-06-04 Johannes Reinhardt , Joseph Michael Brader

We show that one may view the self and the distinct part of the van Hove dynamic correlation function of a simple fluid as the one-body density distributions of a binary mixture that evolve in time according to dynamical density functional…

软凝聚态物质 · 物理学 2011-11-09 Andrew J. Archer , Paul Hopkins , Matthias Schmidt

A density functional theory for a macroion suspension is examined, where the excess free energy corresponds to the macroion self energy arising from the polarisation of the supporting electrolyte solution. This is treated within a…

软凝聚态物质 · 物理学 2007-05-23 Patrick B. Warren

We give a variational formulation of classical statistical mechanics where the one-body density and the local entropy distribution constitute the trial fields. Using Levy's constrained search method it is shown that the grand potential is a…

软凝聚态物质 · 物理学 2015-05-30 Matthias Schmidt

The phase-field crystal model is by now widely used in order to predict crystal nucleation and growth. For colloidal solidification with completely overdamped individual particle motion, we show that the phase-field crystal dynamics can be…

软凝聚态物质 · 物理学 2009-05-28 Sven van Teeffelen , Rainer Backofen , Axel Voigt , Hartmut Löwen

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…

软凝聚态物质 · 物理学 2009-11-13 Markus Rauscher , Alvaro Dominguez , Matthias Krueger , Florencia Penna

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…

偏微分方程分析 · 数学 2021-09-15 B. D. Goddard , R. D. Mills-Williams , M. Ottobre , G. Pavliotis