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Stochastic Thermodynamics for Self-Propelled Particles

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Stochastic Thermodynamics for Self-Propelled Particles Stochastic thermodynamics for self-propelled particles Grzegorz Szamel Department of Chemistry, Colorado State University, Fort Collins, CO 80523 (Dated: July 28, 2020) We propose a generalization of stochastic thermodynamics to systems of active particles, which move under the combined influence of stochastic internal self-propulsions (activity) and a heat bath. The main idea is to consider joint trajectories of particles' positions and self-propulsions. It is then possible to exploit formal similarity of an active system and a system consisting of two subsystems interacting with different heat reservoirs and coupled by a non-symmetric interaction. The resulting thermodynamic description closely follows the standard stochastic thermodynamics. In particu- lar, total entropy production, ∆stot, can be decomposed into housekeeping, ∆shk, and excess, ∆sex, parts. Both ∆stot and ∆shk satisfy fluctuation theorems. The average rate of the steady-state house- keeping entropy production can be related to the violation of the fluctuation-dissipation theorem via a Harada-Sasa relation. The excess entropy production enters into a Hatano-Sasa-like relation, which leads to a generalized Clausius inequality involving the change of the system's entropy and the excess entropy production. Interestingly, although the evolution of particles' self-propulsions is free and uncoupled from that of their positions, non-trivial steady-state correlations between these variables lead to the non-zero excess dissipation in the reservoir coupled to the self-propulsions. Introduction. { Active matter systems [1{6] consist of systems onto equilibrium systems with non-conservative particles that move on their own accord by consuming en- interactions in which the effective temperature (which ergy from their environment. Since these systems are out characterizes the strength of the self-propulsions) plays of equilibrium, they cannot be described using standard the role of the temperature of the medium. It is not thermodynamics. Recently, there have been several at- clear how to generalize these studies to active systems tempts [7{16] to extend the formalism of stochastic ther- that are influenced by both self-propulsions and ther- modynamics to describe active matter. mal noise [29]. In contrast, Speck [10, 11], Shankar and Stochastic thermodynamics [17] is the most successful Marchetti [12], and Dabelow et al. [13] followed the stan- framework for the description of an admittedly limited dard stochastic thermodynamics more closely and consid- class of non-equilibrium systems. In its standard form, ered active matter systems in contact with a heat bath. stochastic thermodynamics deals with systems which are Here we follow the spirit of Ref. [12] and consider joint in contact with a heat reservoir characterized by a con- trajectories of particles' positions and self-propulsions stant temperature and are displaced out of equilibrium by [30], for an active system in contact with a heat bath external forces (in contrast to active systems that evolve [31]. This approach allows us to follow the standard under the influence of internal self-propulsions). It com- stochastic thermodynamics framework and to generalize bines stochastic energetics [18], which generalizes notions a number of its results to active matter systems. In par- of work and heat to the level of systems' trajectories, with ticular, we divide the entropy production into the house- the notion of stochastic entropy [19]. It allows one to de- keeping part, which originates from the non-equilibrium rive a number of results characterizing out-of-equilibrium character of active matter, and the excess part, we de- states and processes. We shall mention here fluctuation rive a fluctuation theorem for the housekeeping entropy theorems for entropy production [20{22] which shed light production, and we relate the steady-state entropy pro- on the probability of rare, 2nd law violating fluctuations, duction to the experimentally measurable violation of a the Jarzynski relation [23] which expresses the free en- fluctuation-dissipation relation. We also obtain a gener- ergy difference between two equilibrium states in terms alized Clausius inequality which extends the 2nd law of of the average of the exponential of the work performed thermodynamics to active matter systems. in a non-equilibrium process between the same two states Model: Active Brownian particle in an external poten- and a generalization of the Jarzynski relation to transi- tial. { To illustrate our approach we use a minimal model tions between two stationary non-equilibrium states [24]. system consisting of a single active Brownian particle Several results obtained in the framework of stochastic (ABP) [32] under the influence of an external force, in thermodynamics were experimentally verified, see, e.g., two spatial dimensions. The equations of motion read Refs. [25{28]. 0 0 Two types of a generalization of stochastic thermo- γtr_ = Fλ + γtv0e + ζ hζ(t)ζ(t )i = 2IγtT δ(t − t ); dynamics to active matter systems have been proposed. (1) 0 0 Fodor et al. [7] and Mandal et al. [8] considered model γr'_ = η hη(t)η(t )i = 2γrT δ(t − t ); athermal active matter systems and derived two differ- (2) ent expressions for the entropy production. The common feature of these two studies is that they map athermal where γt and γr are the translational and rotational fric- 2 tion coefficients [33], respectively, and e≡(cos('); sin(')) The rate of change of the systems entropy reads is the orientation vector. Next, Fλ is an external force, @ p(r;'; t) @ p(r;'; t) @ p(r;'; t) which depends on a control parameter λ, and may in- s_(t) = − t − r · r_ − ' '_ clude a non-conservative component, and v0 is the self- p(r;'; t) p(r;'; t) p(r;'; t) propulsion speed. Finally, ζ and η are Gaussian white @tp(r;'; t) jt(r;'; t) noises representing thermal fluctuations. We use the sys- = − + · r_ p(r;'; t) (T/γt)p(r;'; t) tem of units such that the Boltzmann constant kB = 1. F + γ v e j (r;'; t) − t 0 · r_ + r '_ : (7) The model system defined through Eqs. (1-2) is math- T (T/γr)p(r;'; t) ematically equivalent to a system consisting of two sub- systems, with each subsystem connected to its heat reser- The first term in the last line can be interpreted asthe voir, and with the subsystems coupled through a non- entropy production in the medium, symmetric, i.e. violating Newton's 3rd law, interaction. −1 In the present case of a single ABP the reservoirs are s_ m(t) = T (F + γtv0e) · r_: (8) at the same temperature. If we were to consider an ac- tive Ornstein-Uhlenbeck particle (AOUP) [7, 34, 35], the We will see in the remainder of this Rapid Communica- temperatures of the two reservoirs would be unrelated. tion that identification (8) leads to a consistent frame- Interestingly, the temperature of the reservoir coupled to work of active stochastic thermodynamics. Using Eqs. the self-propulsions, Eq. (2), is different from the so- (7-8) we can express the total stochastic entropy pro- called effective temperature of the self-propulsions [12], duction in terms of local velocities evaluated along the 2 trajectory, Ta = v0γtγr=(2T ). Systems consisting of subsystems coupled to different @ p(r;'; t) 1 s_ (t) = − t + (γ v · r_ + γ v '_) ; (9) heat reservoirs have been extensively studied, both the- tot p(r;'; t) T t t r r oretically [36{42] and experimentally [28, 43, 44]. We note that in the present case, with a non-symmetric in- where vt(r;'; t) = jt(r;'; t)=p(r;'; t) and vr(r;'; t) = teraction between the two subsystems, even if the tem- jr(r;'; t)=p(r;'; t). peratures of the reservoirs are the same, the combined We note that averaging r_ and '_ over all trajectories system is out of equilibrium. under the condition that the position and self-propulsion Stochastic entropy production. { To define a stochas- at time t are equal to r and ' gives the local translational tic entropy we follow Seifert [19]. First, we consider the and rotational velocity, respectively, Fokker-Planck equation for the joint probability density for the particle's position and self-propulsion, which cor- hr_jr;'i = vt(r;'; t) (10) responds to Eqs. (1-2), h'_ jr;'i = vr(r;'; t): (11) Here and in the following ⟨· · · i denotes averaging over @tp(r;'; t) = −@r · jt(r;'; t) − @'jr(r;'; t); (3) the trajectories. Combining Eqs. (9) and (10-11) allows us to calculate _ where current densities in the position and orientation the average total entropy production, S(t) = hs_ tot(t)i, spaces read Z γ v2(r;'; t) + γ v2(r;'; t) S_ (t) = drd' t t r r p(r;'; t): T −1 jt(r;'; t) = γt (Fλ + γtv0e − T@r) p(r;'; t); (4) (12) jr(r;'; t) = − (T/γr) @'p(r;'; t): (5) Due to non-vanishing currents, the total entropy in- creases even in a steady state with a conservative force. We emphasize that due to the non-symmetric interaction Housekeeping entropy production and Harada-Sasa re- between r and ' sectors, in a steady state currents (4-5) lation { Oono and Paniconi [46] introduced the concept do not vanish [45], even if Fλ is conservative. of a housekeeping heat, i.e. the heat dissipated in a non- Next, we define the trajectory-level entropy for the sys- equilibrium steady state. Here we generalize this concept tem (i.e the particle), using the solution of the Fokker- into a housekeeping entropy production. Following the Planck equation (3) for a time-dependent control param- spirit of Hatano and Sasa [24] and of Speck and Seifert eter λ(t), evaluated along the stochastic trajectory of the [47] we define the housekeeping increase of the entropy, particle's position and self-propulsion, ∆shk, as follows Z t −1 0 ∆shk = T dt (γtvts · r_ + γrvrs'_) : (13) s(t) = − ln p(r(t);'(t); t): (6) 0 3 Here vts and vrs are steady-state local translational and of freedom, in spite of the fact that the rotational motion rotational velocities, respectively, is free and decoupled from the translational one.
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