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We study the dynamical decay of the van Hove function of Brownian hard spheres using event-driven Brownian dynamics simulations and dynamic test particle theory. Relevant decays mechanisms include deconfinement of the self particle, decay…

Soft Condensed Matter · Physics 2022-04-20 Lucas L. Treffenstädt , Thomas Schindler , Matthias Schmidt

We study dynamic two-body correlation functions, i.e. the two-body density, the current-density correlator or van Hove current, and the current-current correlator in Brownian dynamics computer simulations of a dense Lennard-Jones bulk…

Soft Condensed Matter · Physics 2020-11-04 Thomas Schindler , Matthias Schmidt

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…

Soft Condensed Matter · Physics 2011-11-09 Andrew J. Archer , Paul Hopkins , Matthias Schmidt

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

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

We study the dynamics of colloidal suspensions of hard spheres that are subject to Brownian motion in the overdamped limit. We obtain the time evolution of the self and distinct parts of the van Hove function by means of dynamical density…

Soft Condensed Matter · Physics 2018-01-16 Daniel Stopper , Kevin Marolt , Hendrik Hansen-Goos , Roland Roth

We study the Brownian dynamics of hard spheres under spatially inhomogeneous shear, using event-driven Brownian dynamics simulations and power functional theory. We examine density and current profiles both for steady states and for the…

Soft Condensed Matter · Physics 2019-10-09 Lucas L. Treffenstädt , Matthias Schmidt

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…

Soft Condensed Matter · Physics 2011-03-17 Paul Hopkins , Andrea Fortini , Andrew Archer , Matthias Schmidt

Theoretical approaches to nonequilibrium many-body dynamics generally rest upon an adiabatic assumption, whereby the true dynamics is represented as a sequence of equilibrium states. Going beyond this simple approximation is a notoriously…

Soft Condensed Matter · Physics 2014-10-15 Andrea Fortini , Daniel de las Heras , Joseph M. Brader , Matthias Schmidt

We study structural relaxation of colloidal hard spheres undergoing Brownian motion using dynamical density functional theory. Contrary to the partial linearization route [Stopper {\em et al.}, Phys. Rev. E {\bf 92}, 022151 (2015)] which…

Soft Condensed Matter · Physics 2018-01-16 Daniel Stopper , Roland Roth , Hendrik Hansen-Goos

We investigate motility-induced phase separation of active Brownian particles, which are modeled as purely repulsive spheres that move due to a constant swim force with freely diffusing orientation. We develop on the basis of power…

Statistical Mechanics · Physics 2019-11-13 Sophie Hermann , Philip Krinninger , Daniel de las Heras , Matthias Schmidt

Using dynamical density functional theory (DDFT), we theoretically study Brownian self-diffusion and structural relaxation of hard disks and compare to experimental results on quasi two-dimensional colloidal hard spheres. To this end, we…

Soft Condensed Matter · Physics 2018-04-04 Daniel Stopper , Alice Thorneywork , Roel Dullens , Roland Roth

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

At thermal equilibrium, intensive quantities like temperature and pressure have to be uniform throughout the system, restricting inhomogeneous systems composed of different phases. The paradigmatic example is the coexistence of vapor and…

Statistical Mechanics · Physics 2021-01-26 Thomas Speck

We present an explicit and simple approximation for the superadiabatic excess (over ideal gas) free power functional, admitting the study of the nonequilibrium dynamics of overdamped Brownian many-body systems. The functional depends on the…

Soft Condensed Matter · Physics 2018-02-26 Daniel de las Heras , Matthias Schmidt

Using the generalized Langevin equation formalism and the process of contraction of the description we derive a general memory function equation for the thermal fluctuations of the local density of a simple atomic liquid. From the analysis…

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…

Soft Condensed Matter · Physics 2016-05-25 Daniel de las Heras , Joseph M. Brader , Andrea Fortini , Matthias Schmidt

Using Brownian dynamics computer simulations we investigate the dynamics of the one-body density and one-body current in a one-dimensional system of particles that interact with a repulsive Gaussian pair potential. We systematically split…

Soft Condensed Matter · Physics 2016-08-05 Elias Bernreuther , Matthias Schmidt

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

The smooth emergence of shear elasticity is an hallmark of the liquid to glass transition. In a liquid, viscous stresses arise from local structural rearrangements. In the solid, Eshelby has shown that stresses around an inclusion decay as…

Soft Condensed Matter · Physics 2024-11-08 Niklas Grimm , Martin von Bischopinck , Andreas Zumbusch , Matthias Fuchs
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