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Register a new userCustom flow in overdamped Brownian Dynamics
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Added by
Daniel de las Heras
Publication date
2018
fields
Physics
and research's language is
English
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When an external field drives a colloidal system out of equilibrium, the ensuing colloidal response can be very complex and obtaining a detailed physical understanding often requires case-by-case considerations. In order to facilitate systematic analysis, here we present a general iterative scheme for the determination of the unique external force field that yields a prescribed inhomogeneous stationary or time-dependent flow in an overdamped Brownian many-body system. The computer simulation method is based on the exact one-body force balance equation and allows to specifically tailor both gradient and rotational velocity contributions, as well as to freely control the one-body density distribution. Hence compressibility of the flow field can be fully adjusted. The practical convergence to a unique external force field demonstrates the existence of a functional map from both velocity and density to external force field, as predicted by the power functional variational framework. In equilibrium, the method allows to find the conservative force field that generates a prescribed target density profile, and hence implements the Mermin-Evans classical density functional map from density distribution to external potential. The conceptual tools developed here enable one to gain detailed physical insight into complex flow behaviour, as we demonstrate in prototypical situations.
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Driving an inertial many-body system out of equilibrium generates complex dynamics due to memory effects and the intricate relationships between the external driving force, internal forces, and transport effects. Understanding the underlying physics is challenging and often requires carrying out case-by-case analysis. To systematically study the interplay between all types of forces that contribute to the dynamics, a method to generate prescribed flow patterns could be of great help. We develop a custom flow method to numerically construct the external force field required to obtain the desired time evolution of an inertial many-body system, as prescribed by its one-body current and density profiles. We validate the custom flow method in a Newtonian system of purely repulsive particles by creating a slow motion dynamics of an out-of-equilibrium process and by prescribing the full time evolution between two distinct equilibrium states. The method can also be used with thermostat algorithms to control the temperature.
We present a fundamental classification of forces relevant in nonequilibrium structure formation under collective flow in Brownian many-body systems. The internal one-body force field is systematically split into contributions relevant for the spatial structure and for the coupled motion. We demonstrate that both contributions can be obtained straightforwardly in computer simulations, and present a power functional theory that describes all types of forces quantitatively. Our conclusions and methods are relevant for flow in inertial systems, such as molecular liquids and granular media.
The active Brownian particle (ABP) model describes a swimmer, synthetic or living, whose direction of swimming is a Brownian motion. The swimming is due to a propulsion force, and the fluctuations are typically thermal in origin. We present a 2D model where the fluctuations arise from nonthermal noise in a propelling force acting at a single point, such as that due to a flagellum. We take the overdamped limit and find several modifications to the traditional ABP model. Since the fluctuating force causes a fluctuating torque, the diffusion tensor describing the process has a coupling between translational and rotational degrees of freedom. An anisotropic particle also exhibits a noise-induced induced drift. We show that these effects have measurable consequences for the long-time diffusivity of active particles, in particular adding a contribution that is independent of where the force acts.
We perform three-dimensional simulations of a granular jet impact for both frictional and frictionless grains. Small shear stress observed in the experiment[X. Cheng et al., Phys. Rev. Lett. 99, 188001 (2007) ] is reproduced through our simulation. However, the fluid state after the impact is far from a perfect fluid, and thus, similarity between granular jets and quark gluon plasma is superficial, because the observed viscosity is finite and its value is consistent with the prediction of the kinetic theory.
The short-time motion of Brownian particles in an incompressible Newtonian fluid under shear, in which the fluid inertia becomes important, was investigated by direct numerical simulation of particulate flows. Three-dimensional simulations were performed, wherein external forces were introduced to approximately form Couette flows throughout the entire system with periodic boundary conditions. In order to examine the validity of the method, the mean square displacement of a single spherical particle in a simple shear flow was calculated, and these results were compared with a hydrodynamic analytical solution that includes the effects of the fluid inertia. Finally, the dynamical behavior of a monodisperse dispersion composed of repulsive spherical particles was examined on short time scales, and the shear-induced diffusion coefficients were measured for several volume fractions up to 0.50.
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