Active Brownian particles (ABPs), when subject to purely repulsive interactions, are known to undergo activity-induced phase separation broadly resembling an equilibrium (attraction-induced) gas-liquid coexistence. Here we present an accurate continuum theory for the dynamics of phase-separating ABPs, derived by direct coarse graining, capturing leading-order density gradient terms alongside an effective bulk free energy. Such gradient terms do not obey detailed balance; yet we find coarsening dynamics closely resembling that of equilibrium phase separation. Our continuum theory is numerically compared to large-scale direct simulations of ABPs and accurately accounts for domain growth kinetics, domain topologies, and coexistence densities.

We derive a microscopic expression for the mechanical pressure P in a system of spherical active Brownian particles at density ρ. Our exact result relates P, defined as the force per unit area on a bounding wall, to bulk correlation functions evaluated far away from the wall. It shows that (i) PðρÞ is a state function, independent of the particle-wall interaction; (ii) interactions contribute two terms to P, one encoding the slow-down that drives motility-induced phase separation, and the other a direct contribution well known for passive systems; and (iii) P is equal in coexisting phases. We discuss the consequences of these results for the motility-induced phase separation of active Brownian particles and show that the densities at coexistence do not satisfy a Maxwell construction on P. Much recent research addresses the statistical physics of active matter, whose constituent particles show autonomous dissipative motion (typically self-propulsion), sustained by an energy supply. Progress has been made in understanding spontaneous flow [1] and phase equilibria in active matter [2-6], but as yet there is no clear thermodynamic framework for these systems. Even the definition of basic thermodynamic variables such as temperature and pressure is problematic. While "effective temperature" is a widely used concept outside equilibrium [7], the discussion of pressure P in active matter has been neglected until recently [8][9][10][11][12][13][14]. At first sight, because P can be defined mechanically as the force per unit area on a confining wall, its computation as a statistical average looks unproblematic. Remarkably, though, it was recently shown that for active matter the force on a wall can depend on details of the wall-particle interaction so that P is not, in general, a state function [15].Active particles are nonetheless clearly capable of exerting a mechanical pressure P on their containers. (When immersed in a space-filling solvent, this becomes an osmotic pressure [8,10].) Less clear is how to calculate P; several suggestions have been made [9][10][11][12] whose interrelations are, as yet, uncertain. Recall that for systems in thermal equilibrium, the mechanical and thermodynamic definitions of pressure [force per unit area on a confining wall, and −ð∂F =∂VÞ N for N particles in volume V, with F the Helmholtz free energy] necessarily coincide. Accordingly, various formulas for P (involving, e.g., the density distribution near a wall [16], or correlators in the bulk [17,18]) are always equivalent. This ceases to be true, in general, for active particles [11,15].In this Letter we adopt the mechanical definition of P. We first show analytically that P is a state function, independent of the wall-particle interaction, for one important and well-studied class of systems: spherical active Brownian particles (ABPs) with isotropic repulsions. By definition, such ABPs undergo overdamped motion in response to a force that combines an arbitrary pair interaction with an external forcing term of constant magnitude along a...

Recently, there has been much interest in activity-induced phase separations in concentrated suspensions of "active Brownian particles" (ABPs), self-propelled spherical particles whose direction of motion relaxes through thermal rotational diffusion. To date, almost all these studies have been restricted to 2 dimensions. In this work we study activity-induced phase separation in 3D and compare the results with previous and new 2D simulations. To this end, we performed state-of-the-art Brownian dynamics simulations of up to 40 million ABPs - such very large system sizes are unavoidable to evade finite size effects in 3D. Our results confirm the picture established for 2D systems in which an activity-induced phase separation occurs, with strong analogies to equilibrium gas-liquid spinodal decomposition, in spite of the purely non-equilibrium nature of the driving force behind the phase separation. However, we also find important differences between the 2D and 3D cases. Firstly, the shape and position of the phase boundaries is markedly different for the two cases. Secondly, for the 3D coarsening kinetics we find that the domain size grows in time according to the classical diffusive t(1/3) law, in contrast to the nonstandard subdiffusive exponent observed in 2D.

Recent theories predict phase separation among orientationally disordered active particles whose propulsion speed decreases rapidly enough with density. Coarse-grained models of this process show time-reversal symmetry (detailed balance) to be restored for uniform states, but broken by gradient terms; hence, detailed-balance violation is strongly coupled to interfacial phenomena. To explore the subtle generic physics resulting from such coupling, we here introduce 'Active Model B'. This is a scalar f 4 field theory (or phase-field model) that minimally violates detailed balance via a leading-order square-gradient term. We find that this additional term has modest effects on coarsening dynamics, but alters the static phase diagram by creating a jump in (thermodynamic) pressure across flat interfaces. Both results are surprising, since interfacial phenomena are always strongly implicated in coarsening dynamics but are, in detailed-balance systems, irrelevant for phase equilibria.