Dynamical fluctuations of a tracer coupled to active and passive particles Ion Santra

2025-05-03 0 0 1.12MB 25 页 10玖币
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Dynamical fluctuations of a tracer coupled to active
and passive particles
Ion Santra
Raman Research Institute, Bengaluru 560080, India
Abstract. We study the induced dynamics of an inertial tracer particle elastically
coupled to passive or active Brownian particles. We integrate out the environment
degrees of freedom to obtain the exact effective equation of the tracer—a generalized
Langevin equation in both cases. In particular, we find the exact form of the
dissipation kernel and effective noise experienced by the tracer and compare it with
the phenomenological modeling of active baths used in previous studies. We show that
the second fluctuation-dissipation relation (FDR) does not hold at early times for both
cases. However, at finite times, the tracer dynamics violate (obeys) the FDR for the
active (passive) environment. We calculate the linear response formulas in this regime
for both cases and show that the passive medium satisfies an equilibrium fluctuation
response relation (FRR), while the active medium does not—we quantify the extent
of this violation explicitly. We show that though the active medium generally renders
a nonequilibrium description of the tracer, an effective equilibrium picture emerges
asymptotically in the small activity limit of the medium. We also calculate the mean
squared velocity and mean squared displacement of the tracer and report how they
vary with time.
1. Introduction
The effective behavior of a system depends crucially on the dynamical nature of its
environment. It is well established that if a system is in an equilibrium environment,
the linear response of an observable in the presence of small external perturbation is
governed by the equilibrium correlations of the same observable. This is popularly
called the fluctuation-response relation (also sometimes called the fluctuation-dissipation
theorem of the first kind). As a corollary, it is also known that the random force driving
the velocity fluctuations of the system is related to the friction (dissipation) experienced
by the system. This is known as the fluctuation-dissipation relation (also known in
the literature as the fluctuation-dissipation relation of the second kind) [1, 2, 3, 4, 5].
Descriptions of such effective motion of a system in an equilibrium environment can be
derived starting from the microscopic descriptions of the environment and the system
environment coupling and thereafter integrating out the fast environmental degrees of
freedom [6, 7]. Popular and famous ways of doing this include the Feynman-Vernon
model [8] or the Caldeira-Leggett model [9], which describe the dynamics of a system
(particle) elastically coupled to an environment consisting of a set of non-interacting
arXiv:2210.05139v2 [cond-mat.stat-mech] 15 Aug 2023
Dynamical fluctuations of a tracer coupled to active and passive particles 2
harmonic oscillators. Integrating out the oscillator degrees of freedom, one can arrive
at a generalized Langevin equation for the time evolution of the position of the system.
Further, by using the equilibrium correlations of the oscillators, the validity of the
fluctuation relations can be explicitly shown.
An interesting question is what happens if the environment is out of equilibrium.
The examples of such nonequilibrium environments are widespread in the world of
complex systems—a collection of active particles [10, 11], glassy medium [12], sheared
fluid [13], inter-cellular medium [14] etc. It is known that the familiar forms of the
equilibrium relations connecting the fluctuation-dissipation and fluctuation-response of
the system do not hold anymore [15, 16, 17, 18, 19]. In fact, there are no general
forms for the fluctuation relations and they depend on the exact dynamical nature
of the environment and how the system is coupled to it [20]. Thus, providing an
effective description of a system in a nonequilibrium environment is a problem highly
sought-after. Moreover, transport properties of extended systems connected to active
environments have also gained interest recently [21], and an accurate description of such
environments has thus become very important. This is evident from the huge body of
works involving experiments in microrheology and biophysics, whose main objective is to
understand how the nonequilibrium features of the active environment are reflected on
the dynamics of a tracer particle [10, 16, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32].
These experiments have, in turn, triggered a number of numerical and theoretical
works [33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53,
54, 55, 56, 57]. Importantly, in most of the studies involving fluctuating environments,
the effect of the environment is modeled phenomenologically, motivated by experiments,
simulations [36, 41, 40, 34, 55] and the derivations of the effective motion of a tracer in
a nonequilibrium environment starting from the microscopic dynamics and interaction
has been limited [37, 49, 54, 57]. However, such studies provide great insight into what
roles the parameters of the fluctuating environment have on the dynamics of the tracer.
In this paper, we investigate the dynamics of a tracer in a fluctuating environment
by explicitly integrating the degrees of freedom of the environment. We consider a simple
microscopic model where the system, a tracer particle, is connected to a collection of
non-self-interacting particles (environment), following their own stochastic dynamics,
by harmonic springs. In particular, we consider two cases where these stochastic
dynamics are Markovian and non-Markovian—modeled by Brownian (passive) and
active particles, respectively; each active particle is modeled by a Langevin equation
with colored noise, having an exponentially decaying autocorrelation. The harmonic
springs render the equations of motion of the tracer and environmental particles to be
linear, which helps in integrating out the environmental degrees of freedom exactly to
get an effective equation of motion—a generalized Langevin equation for the tracer.
We find the exact forms of the effective noise and dissipation experienced by the tracer
and show that, though the effective noise correlations contain terms that are not time
translation invariant, they decay very fast, and the random force (noise) on the tracer
reaches a stationary state. We show that the familiar phenomenological models used
Dynamical fluctuations of a tracer coupled to active and passive particles 3
to describe active environments in earlier studies are recovered in the strong coupling
limit (coupling time-scale much smaller than the active time-scale). Using the exact
forms of the dissipation kernel and the stationary noise correlation of the tracer, we find
that the traditional forms of the equilibrium FDT are obtained when the environment
is made of passive particles. On the other hand, the traditional forms of the FDR
are significantly modified for the active particle environment. We compute the linear
response of the tracer in the presence of external perturbations explicitly to find that the
traditional equilibrium description fits when the environment is passive, while there are
stark modifications for the active environment. We calculate all these relations explicitly.
Finally, we measure the two most common and easily measurable observables, namely,
the mean squared velocity (msv) and the mean squared displacement (msd) of the tracer,
and compare the differences in the active and passive environments. In particular, we
find that at times shorter than that set by the coupling time-scale, the tracer obeys
the usual underdamped behavior. However, beyond the coupling time-scale, the tracer
follows the motion of the environment—they show a diffusive motion similar to that
of the individual environmental particles with the same diffusion constant, albeit with
damped oscillations. These oscillations are a result of the visco-elastic nature of the
set-up (viscous effects produced by the environmental particles and the elastic effects
caused by the coupling springs). Interestingly, these oscillations vanish for highly active
environments (active time-scales much larger than the coupling time-scales). Compared
to the previous analytical studies, which use a weak coupling limit [49, 57], adiabatic
perturbation theory [54] the calculations presented in this paper are exact. Moreover,
our derivation of the effective equation of the tracer applies to any choice of the active
motion of the environmental particles, unlike the previous works, which take a particular
choice of dynamics for the environmental particles. However, it must be mentioned that
though the procedure is exact and simpler compared to the trajectory-based response
formalism and adiabatic perturbation theory used in previous works, its applicability
beyond harmonic interactions is very difficult.
The paper is organized as follows. We introduce the model and derive the effective
generalized Langevin equation for the tracer in Sec. 2 . In Sec. 3, we compute the
autocorrelations of the effective noise appearing in the generalized Langevin equation of
the tracer for both active and passive environments. We investigate the linear response
formula for the tracer in the presence of small external perturbation and derive the
modified response formulas in Sec. 4. In Sec. 5 we discuss the temporal dependence
of mean squared velocity and displacement of the tracer. Finally, we summarize and
conclude in Sec. 6.
2. Model
Let us consider a particle of mass mcoupled elastically to Noverdamped particles,
which can be either active or passive, via isotropic harmonic springs of spring constant
ki. The model is inspired by the typical microrheology experiments which study the
Dynamical fluctuations of a tracer coupled to active and passive particles 4
motion of a tracer bead in myosin-activated actin networks [16, 25, 58, 59, 60]. The
harmonic interaction can also be viewed as an approximation for some other complicated
potential U[x(t)yi(t)], with a short range, about its minimum. This can be seen by
expanding U(x) in a Taylor series about its minimum and keeping terms up to second
order; U′′(x0) [x0denotes the minimum of U(x)] serves as an effective spring constant
for the medium [61]. In this paper, we consider the dynamics along one direction
only; however, generalization to higher dimensions is straightforward. The equations of
motion of the combined system are given by,
m¨x(t) = X
i
kix(t)yi(t)(1)
˙yi(t) = ki
γyi(t)x(t)+ζi(t)i= 1,2...,N (2)
where xdenotes the tracer displacement while yidenotes the displacement of the ith
environment particle; γdenotes the damping coefficient of the bath particles; and
ζi(t) denotes the random noise of the environemental particles. Note that there is
no interaction among the degrees of freedom of the environmental particles.
We consider two cases where the environmental particles are (i) Brownian particles
and (ii) active particles. When the environmental particles are Brownian, ζ(t) is modeled
by a delta-correlated noise with zero mean,
ζb
i(t)ζb
j(t)= 2Dδ(tt)δij (3)
where the diffusion coefficient D=KBT. Active particles, on the other hand,
are modeled by stochastic noises which have zero mean and exponentially decaying
autocorrelation,
ζa
i(t)ζa
j(t)=v2
0eα|tt|δij.(4)
The exponentially decaying autocorrelation is a hallmark of active particle motion [62,
63]. Popular models like run-and-tumble particles [64, 65, 66] and active Ornstein-
Uhlenbeck particles [67] exhibit exponentially decaying correlation of the propulsion
velocity at all times. Moreover, the active Brownian particles [68, 69] and direction
reversing active Brownian particles [66, 70] also follow such similar exponentially
decaying noise autocorrelation in the stationary state, see also Appendix A. The
characteristic time scale α1of this decay is a measure of the activity of the particle—
smaller αimplies larger correlation time, which, in turn, implies higher activity.
In the following, we first derive the equations of motion of the tracer by explicitly
integrating out the environmental degrees of freedom yi(t). To this end, we first note
that the equation of motion of the bath particles (2) are ordinary first-order linear
differential equations with inhomogeneous terms. It has a general solution,
yi(t) = yi(0)eλit+eλitZt
0
ds eλisλix(s) + ζi(s),(5)
Dynamical fluctuations of a tracer coupled to active and passive particles 5
ith environmental
particle
m
Figure 1. A schematic representation of the model: the red shaded circle denotes
the tracer of mass mmodeled (1) and the solid green circles denote the environmental
particles modeled by (2).
where λi=ki. Putting (5) in (1), we get,
m¨x(t) = X
i
kiyi(0)eλt X
ihkix(t)kiλieλitZt
0
ds eλisx(s)kieλitZt
0
ds eλisζi(s)i
(6)
Thus, the effective dynamics of the tracer depend on the initial condition of the bath
particles in the form of a time-dependent velocity that decays exponentially and hence
does not affect the long time dynamics of the tracer and we have,
m¨x(t) = X
i
kix(t) + X
i k2
i
γeλitZt
0
ds eλisx(s) + kieλitZt
0
ds eλisζi(s)!.(7)
Performing an integration by parts on the second integral on the rhs of the above
equation, we arrive at a generalized Langevin equation for the tracer dynamics,
m¨x(t) = Zt
0
ds Γ(ts) ˙x(s) + Ω(t),(8)
where
Γ(τ) = X
i
kieλiτ(9)
denotes the memory kernel and
Ω(τ) = Zt
0
ds X
i
kieλi(ts)ζi(s) (10)
denotes the effective noise experienced by the tracer. It is important to note that the
calculations (5) to (8) holds for both passive and active environment. Moreover, (8),(9)
and (10) are exact and can be applied to any choice of ζi(t) corresponding to different
active dynamics [see Appendix A]. However, the autocorrelation of the effective noise
Ω(t) is different for both cases, which we investigate in the following section.
摘要:

DynamicalfluctuationsofatracercoupledtoactiveandpassiveparticlesIonSantraRamanResearchInstitute,Bengaluru560080,IndiaAbstract.WestudytheinduceddynamicsofaninertialtracerparticleelasticallycoupledtopassiveoractiveBrownianparticles.Weintegrateouttheenvironmentdegreesoffreedomtoobtaintheexacteffectivee...

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