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Additivity, density fluctuations, and nonequilibrium thermodynamics for active Brownian particles

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 Publication date 2016
  fields Physics
and research's language is English




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Using an additivity property, we study particle-number fluctuations in a system of interacting self-propelled particles, called active Brownian particles (ABPs), which consists of repulsive disks with random self-propulsion velocities. From a fluctuation-response relation - a direct consequence of additivity, we formulate a thermodynamic theory which captures the previously observed features of nonequilibrium phase transition in the ABPs from a homogeneous fluid phase to an inhomogeneous phase of coexisting gas and liquid. We substantiate the predictions of additivity by analytically calculating the subsystem particle-number distributions in the homogeneous fluid phase away from criticality where analytically obtained distributions are compatible with simulations in the ABPs.



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We study coarse-grained density fluctuations in the disordered phase of the paradigmatic Vicsek-like models of self-propelled particles with alignment interactions and random self-propulsion velocities. By numerically integrating a fluctuation-response relation - the direct consequence of an additivity property, we compute logarithm of the large-deviation probabilities of the coarse-grained subsystem density, while the system is in the disordered fluid phase with vanishing macroscopic velocity. The large-deviation probabilities, computed within additivity, agree remarkably well with that obtained from direct microscopic simulations of the models. Our results provide an evidence of the existence of an equilibrium-like chemical potential, which governs the coarse-grained density fluctuations in the Vicsek-like models. Moreover, comparison of the particle-number fluctuations among several self-propelled particle systems suggests a common mechanism through which the number fluctuations arise in such systems.
Active Brownian particles (ABPs) and Run-and-Tumble particles (RTPs) both self-propel at fixed speed $v$ along a body-axis ${bf u}$ that reorients either through slow angular diffusion (ABPs) or sudden complete randomisation (RTPs). We compare the physics of these two model systems both at microscopic and macroscopic scales. Using exact results for their steady-state distribution in the presence of external potentials, we show that they both admit the same effective equilibrium regime perturbatively that breaks down for stronger external potentials, in a model-dependent way. In the presence of collisional repulsions such particles slow down at high density: their propulsive effort is unchanged, but their average speed along ${bf u}$ becomes $v(rho) < v$. A fruitful avenue is then to construct a mean-field description in which particles are ghost-like and have no collisions, but swim at a variable speed $v$ that is an explicit function or functional of the density $rho$. We give numerical evidence that the recently shown equivalence of the fluctuating hydrodynamics of ABPs and RTPs in this case, which we detail here, extends to microscopic models of ABPs and RTPs interacting with repulsive forces.
Starting from the stochastic thermodynamics description of two coupled underdamped Brownian particles, we showcase and compare three different coarse-graining schemes leading to an effective thermodynamic description for the first of the two particles: marginalization over one particle, bipartite structure with information flows and the Hamiltonian of mean force formalism. In the limit of time-scale separation where the second particle with a fast relaxation time scale locally equilibrates with respect to the coordinates of the first slowly relaxing particle, the effective thermodynamics resulting from the first and third approach are shown to capture the full thermodynamics and to coincide with each other. In the bipartite approach, the slow part does not, in general, allow for an exact thermodynamic description as the entropic exchange between the particles is ignored. Physically, the second particle effectively becomes part of the heat reservoir. In the limit where the second particle becomes heavy and thus deterministic, the effective thermodynamics of the first two coarse-graining methods coincides with the full one. The Hamiltonian of mean force formalism however is shown to be incompatible with that limit. Physically, the second particle becomes a work source. These theoretical results are illustrated using an exactly solvable harmonic model.
We study the linear response of interacting active Brownian particles in an external potential to simple shear flow. Using a path integral approach, we derive the linear response of any state observable to initiating shear in terms of correlation functions evaluated in the unperturbed system. For systems and observables which are symmetric under exchange of the $x$ and $y$ coordinates, the response formula can be drastically simplified to a form containing only state variables in the corresponding correlation functions (compared to the generic formula containing also time derivatives). In general, the shear couples to the particles by translational as well as rotational advection, but in the aforementioned case of $xy$ symmetry only translational advection is relevant in the linear regime. We apply the response formulas analytically in solvable cases and numerically in a specific setup. In particular, we investigate the effect of a shear flow on the morphology and the stress of $N$ confined active particles in interaction, where we find that the activity as well as additional alignment interactions generally increase the response.
249 - M. E. Cates , J. Tailleur 2012
Active Brownian particles (ABPs, such as self-phoretic colloids) swim at fixed speed $v$ along a body-axis ${bf u}$ that rotates by slow angular diffusion. Run-and-tumble particles (RTPs, such as motile bacteria) swim with constant $u$ until a random tumble event suddenly decorrelates the orientation. We show that when the motility parameters depend on density $rho$ but not on ${bf u}$, the coarse-grained fluctuating hydrodynamics of interacting ABPs and RTPs can be mapped onto each other and are thus strictly equivalent. In both cases, a steeply enough decreasing $v(rho)$ causes phase separation in dimensions $d=2,3$, even when no attractive forces act between the particles. This points to a generic role for motility-induced phase separation in active matter. However, we show that the ABP/RTP equivalence does not automatically extend to the more general case of $u$-dependent motilities.
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