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ORIGINAL RESEARCH article
Front. Phys. , 11 January 2021
Sec. Interdisciplinary Physics
Volume 8 - 2020 | https://doi.org/10.3389/fphy.2020.582992
This article is part of the Research Topic Classical Statistical Mechanics Using Confined Brownian Particles View all 9 articles
Active matter systems are driven out of equilibrium by conversion of energy into directed motion locally on the level of the individual constituents. In the spirit of a minimal description, active matter is often modeled by so-called active Ornstein-Uhlenbeck particles an extension of passive Brownian motion where activity is represented by an additional fluctuating non-equilibrium “force” with simple statistical properties (Ornstein-Uhlenbeck process). While in passive Brownian motion, entropy production along trajectories is well-known to relate to irreversibility in terms of the log-ratio of probabilities to observe a certain particle trajectory forward in time in comparison to observing its time-reversed twin trajectory, the connection between these concepts for active matter is less clear. It is therefore of central importance to provide explicit expressions for the irreversibility of active particle trajectories based on measurable quantities alone, such as the particle positions. In this technical note we derive a general expression for the irreversibility of AOUPs in terms of path probability ratios (forward vs. backward path), extending recent results from [PRX 9, 021009 (2019)] by allowing for arbitrary initial particle distributions and states of the active driving.
Irreversible thermodynamic processes are characterized by a positive entropy change in their “Universe”, i.e., in the combined system of interest and its environment [1]. In macroscopic (equilibrium) thermodynamics, where entropy is a state variable, this change usually refers to the difference between the entropy in the final state of the “Universe” reached at the end of the process and in the initial state from where it started. In small mesoscopic systems on the micro- and nanometer scale, such as a colloidal Brownian particle diffusing in an aqueous solution, it has been established within the framework of stochastic thermodynamics [2–6] that the total entropy change should be evaluated from the entropy produced in the system and in its thermal environment along the specific trajectory the system follows during the process. This procedure remains valid even when the system is far from equilibrium, for example due to persistent currents or because it is driven by an external protocol realizing the thermodynamic process. The omnipresence of thermal fluctuations on the mesoscopic scale leads to a distribution of possible paths the system can take to go from the initial to the final state, and, accordingly to a distribution of entropy changes. A central result in stochastic thermodynamics is that the total entropy change
A fundamentally different class of non-equilibrium systems are so-called “active particles”, like Janus colloids with catalytic surfaces or bacteria [7–11], which have the ability to locally convert energy into self-propulsion, i.e., they move independently of external forces or thermal fluctuations. The source of non-equilibrium is the energy-to-motion conversion process on the level of the individual particle. This out-of-equilibrium process produces entropy, but the various degrees of freedom maintaining the self-propulsion are usually not observable in typical experiments with active particles, such that this entropy production can in general not be quantified. Moreover, for the (collective) behavior of active particles emerging from self-propulsion, as described, e.g., in Refs. 12–15, the details of the propulsion mechanism and the amount of dissipation connected with it are largely irrelevant. In analogy to the stochastic thermodynamics of passive Brownian particles, a central question in active matter is therefore how the path probabilities for translational degrees of freedom of the active particles and the associated log-ratio of forward vs. backward path probabilities is connected to irreversibility and entropy production [16–18]. We remark that this is an ongoing debate [16, 19–24] which we will not resolve here. Rather, we will provide a central step toward an understanding of the role of the path probability ratio in active matter by providing exact analytical expressions for a simple but highly successful and well-established [15, 25–31] model of active matter, namely the active Ornstein-Uhlenbeck particle (AOUP) [16, 18–21, 24, 32–44]. In this model, self-propulsion is realized via a fluctuating “driving force” in the equations of motion [7, 10] with Gaussian distribution and exponential time-correlation (see Section 2.1). By integrating out these active fluctuations, we derive an explicit analytical expression for the path weight of an AOUP, valid for arbitrary values of the model parameters, arbitrary finite duration of the particle trajectory and arbitrary initial distributions of particle positions and active fluctuations (see Section 4). Using this path weight, we then derive the irreversibility measure in form of the log-ratio of forward vs. backward path probabilities and comment on its physical implications (Section 5). Before establishing these general results, we briefly recall earlier findings from Ref. 18 for independent initial conditions of particle positions and active fluctuations, see Section 3. We conclude with a short discussion in Section 6, including potential applications of our results.
The model for an active Ornstein-Uhlenback particle (AOUP) consists in a standard overdamped Langevin equation for a passive Brownian particle at position
Here, the dot denotes the time-derivative, γ is the viscous friction coefficient,
where
Our central goal is to evaluate the path weight
where the path integral over
is the standard Onsager-Machlup path weight [45–47] for the joint process
We start by summarizing the main results from Ref. 18. In Ref. 18 we gave the path weight for trajectories
with the memory kernel
where
If we have a trajectory
Consequently, the corresponding path weight for a trajectory starting at
Letting
For “infinitely long” stationary-state trajectories, for which also
The latter special case has been derived independently in Ref. 24 via Fourier transformation, see eq. 25 in Ref. 24, in order to analyze “entropy production” based on path-probability ratios. Similar Fourier-transform techniques for Langevin systems have been used in Ref. 48 for deriving a fluctuation relation at large times, with findings for the non-local “inverse temperature” as integration kernel in the “entropy production” corresponding to those in Ref. 24, and to our Eq. 11.
In this section, we generalize the path weight Eq. 9 to allow for arbitrary joint initial distributions
We start in Section 4.1 by first calculating
Then, in Section 4.2, we show how this result can be used to cover any arbitrary initial distribution
With Eqs 4 and 5, and the initial distribution
The superscript “
with the differential operator
Performing the Gaussian integral over
where
We note that Eq. 12 includes the steady-state distribution,
To cover arbitrary initial distributions
In view of Eq. 5 we see that the term in brackets is exactly
is the path weight conditioned on an initial position
With the explicit result Eq. 16 for
If
such that
Furthermore, we define
as the memory kernel for the path weight conditioned on an arbitrary initial configuration
where we have used
Finally, we can shift trajectories similarly as in Section 3.2 to obtain the path weight for arbitrary trajectories
with
Given an initial distribution
Equations 25–27 represent the first central result of the present contribution, a general expression for the path weight of active Ornstein-Uhlenbeck particles in position space only, for arbitrary trajectories with arbitrary initial and final times and arbitrary initial distributions. There is no approximation involved, so that our results are valid for any values of thermal and active noise parameters D and
We expect that the specific initial configuration becomes irrelevant for steady-state trajectories, i.e., in the limit
the same expression as
Another comparison to our previous results from Section 3.1 [18] is obtained by plugging the stationary state distribution
with
A somewhat tedious but straightforward calculation then confirms
In stochastic thermodynamics [2–6], irreversibility is quantified by comparing the probability
with
a central quantity of interest also for active particles. Indeed, its connection with dissipation and entropy is under lively debate [16, 18–24].
We here provide a general expression for
This expression constitutes the second central result of this work. Given any spatial trajectory
Central properties of the active fluctuations which drive the particle motion are represented by the parameters
In the spirit of quantifying irreversibility by asking how likely it is to observe a reversed trajectory compared to its forward twin when starting from identically prepared experimental setups (except for the initial particle position, which is
The first line in Eq. 33 is independent of
These two contributions to irreversibility from the particle trajectory
Another important implication of the result Eq. 33 is that the rate at which irreversibility is produced in the stationary state (i.e., upon letting
with
We conclude this discussion with a remark concerning the relation between the expression for
What can we learn about the non-equilibrium nature of an active system by observing particle trajectories, i.e., the evolution of particle positions over time? Within the framework of a minimal model for particulate active matter on the micro- and nanoscale, the active Ornstein-Uhlenbeck particle [15, 25–31] (see Eqs. 1 and 2), we here contribute an essential step toward exploring this question by deriving an exact analytical expression for the path weight (Eqs. 25–27), which is valid for any values of the model parameters, any external driving forces, arbitrary initial particle positions and configurations of the active fluctuations, and arbitrary trajectory durations. We use this general expression to calculate the log-ratio of path weights for forward vs. backward trajectories (see Eq. 33). In analogy to the stochastic thermodynamics of passive Brownian particles [2–6], such an irreversibility measure may provide an approach toward a thermodynamic description of active matter [16, 18–24].
In future works we may build on these results to further explore the non-equilibrium properties of AOUPs. A highly interesting problem is a possible thermodynamic interpretation of the path probability ratio
The original contributions presented in the study are included in the article/Supplementary Material, further inquiries can be directed to the corresponding authors.
All authors contributed equally to this work.
This research has been funded by the Swedish Research Council (Vetenskapsrådet) under the Grants No. 2016-05412 (RE) and by the Deutsche Forschungsgemeinschaft (DFG) within the Research Unit FOR 2692 under Grant No. 397303734 (LD).
The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.
We thank Stefano Bo for stimulating discussion. LD gratefully acknowledges support by the Nordita visiting PhD program.
We here outline the calculation of
i.e.,
Note that
We can construct both parts,
of the homogeneous ordinary differential equation
associated with Eq. 36. The Green’s function
The difference between the present calculation and the one in Ref. 18 is the boundary term at
where
Substituting these coefficients into the above ansatz for
We here outline the calculation of
i.e.,
Note that
We can construct both parts,
of the homogeneous ordinary differential equation
associated with Eq. 36. The Green’s function
The difference between the present calculation and the one in Ref. 18 is the boundary term at
where
Substituting these coefficients into the above ansatz for
1In fact, to us these seem to be the only proper choices, if we want
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Keywords: active matter, stochastic thermodynamics, non-equilibrium, active Brownian motion, active Ornstein-Uhlenbeck particle, irreversibility, path integrals
Citation: Dabelow L and Eichhorn R (2021) Irreversibility in Active Matter: General Framework for Active Ornstein-Uhlenbeck Particles. Front. Phys. 8:582992. doi: 10.3389/fphy.2020.582992
Received: 13 July 2020; Accepted: 07 October 2020;
Published: 11 January 2021.
Edited by:
Ayan Banerjee, Indian Institute of Science Education and Research Kolkata, IndiaReviewed by:
Francisco J. Sevilla, Universidad Nacional Autónoma de México, MexicoCopyright © 2021 Eichhorn and Dabelow. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
*Correspondence: Ralf Eichhorn, ZWljaGhvcm5Abm9yZGl0YS5vcmc=
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