Noise-Induced Escape of Active Particles
Noise-Induced Escape of Active Particles
Active particles, like motile microorganisms and active colloids, are often found in confined environments
where they can be arrested in a persistent orbital motion. Here, we investigate noise-induced switching between
different coexisting orbits of a confined active particle as a stochastic escape problem. We show that, in the
low-noise regime, this problem can be formulated as a least-action principle, which amounts to finding the most
probable escape path from an orbit to the basin of attraction of another coexisting orbit. The corresponding action
integral coincides with the activation energy, a quantity readily accessible in experiments and simulations via
escape rate data. To illustrate how this approach can be used to tackle specific problems, we calculate optimum
escape paths and activation energies for noise-induced transitions between clockwise and counterclockwise
circular orbits of an active particle in radially symmetric confinement. We also investigated transitions between
orbits of different topologies (ovals and lemniscates) coexisting in elliptic confinement. In all worked examples,
the calculated optimum paths and minimum actions are in excellent agreement with mean-escape-time data
obtained from direct numerical integration of the Langevin equations.
DOI: 10.1103/PhysRevE.108.044605
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B. Least-action principle and the most probable escape path and their conjugate momenta p and pθ . Here, H represents
Each metastable orbit discussed above is associated with the (Wentzel-Freidlin) Hamiltonian and S the classical action
a basin of attraction, which is a region in phase space con- [36]. The corresponding Hamilton equations of motion are
taining all the initial conditions that will lead to the orbit in ṙ = v0 n̂ + μF + 2up, (10)
the absence of noise. The boundary of the basin of attrac-
tion defines the separatrix that separates it from neighboring θ̇ = βτ + 2pθ , (11)
basins. During a noise-induced escape, the noise provides
energy to the particle to abandon its current orbit and escape ṗ = −μ∇(F · p) − β(∇τ )pθ , (12)
the corresponding basin of attraction through some point at
the separatrix, where the escape process ends. This process ∂τ
ṗθ = −v0 (ẑ × n̂) · p − β pθ . (13)
can be viewed as a stochastic trajectory, the escape path, ∂θ
that connects the starting point of the escape to the point Therefore, given a starting point in the attraction basin ar-
where the particle reaches the separatrix. When this process bitrarily close to the orbit, the escape trajectory is given
is finished, the particle enters a new basin of attraction and deterministically by the solution of Eqs. (10)–(13). From
relaxes towards the new orbit. Eq. (9), the stationarity of S requires that H = 0 (eikonal con-
The probability density of a particular escape path can be dition), that is, the escape path from a given initial condition
estimated as follows [35]. Let dt be the time interval elapsed is also a zero energy solution.
as the particle advances from point A at to another point By comparing Eqs. (10) and (11) with Eqs. (1) and (2),
B infinitesimally close. The probability that B also lies at one identifies the generalized momenta as p = ζ/2u and pθ =
is equal to the probability that the values of the Langevin ξ /2. This establishes the formal correspondence between the
forces are exactly those necessary for that end, that is, P ∝ solutions obtained for p and pθ and the exact sequence of
exp[− 4D ( u ζ + ξ 2 )dt], where, from here on, we parameter-
1 1 2
fluctuations necessary to assist the particle through the op-
ized the noise intensities as Dr = D and Dt = uD. Therefore, timum path. Furthermore, the corresponding action can be
the probability density of the specific escape path is obtained by integrating the Lagrangian L = p · ṙ + pθ θ̇ − H.
ρ( ) = Ae−S( )/D
, (6) Using Eqs. (10), (11), and (9), the Lagrangian can be reduced
to L = up2 + p2θ , which leads to the same form of the action
where integral given by Eq. (7). Therefore, the MPEP is the path
1 1 2 corresponding to the minimum action integral,
S( ) = ζ + ξ dt
2
(7)
4 u
S = min [S( )] = min (up + pθ )dt .
2 2
(14)
can be interpreted as the action integral and A is a normalizing
factor. As D → 0, the stochastic escape process is dominated
by the most probable escape path (MPEP), that is, by the path III. TRANSITIONS BETWEEN METASTABLE
that minimizes the action integral and, thereby, maximizes CIRCULAR ORBITS
the probability. The MPEP can be obtained in two steps: (i)
finding the path o→s between two given endpoints, one at the For radially symmetric confinement, V (r), it is convenient
orbit (o) and the other one at the separatrix (s), that minimizes to express the deterministic version of Eqs. (1) and (2) in
So→s ; (ii) finding which one of the possible pairs of endpoints terms of the polar coordinates, r and φ, and the tilt angle
minimizes the action integral globally. χ = ∠(n̂, r) = θ − φ. This way, r and χ form an independent
The minimization of S between two given endpoints can subspace, described by the equations [31]
be performed by solving the corresponding Euler-Lagrange ṙ = v0 cos χ − μV (r), (15)
equations subjected to the constraints given by Eqs. (1) and
(2). Here we choose the alternative Hamiltonian approach, v0
χ̇ = βbF − sin χ , (16)
which consists in substituting the probability density function r
in the form of Eq. (6) into the Fokker-Planck equation corre-
sponding to the Langevin Eqs. (1) and (2): φ can be obtained straightforwardly from φ =
while
v0 dt r −1 sin χ . These equations admit as steady state solu-
∂ρ ∂ 2ρ ∂ (ρτ ) tions two circular orbits of radius R, tilt angle χ = ±χ0 , and
= uD∇ 2 ρ + D 2 − ∇ · [ρ(v0 n̂ + μF )] − β . constant angular speed φ̇ = ±ω, where
∂t ∂θ ∂θ
(8) v0 1
In the low-noise (D → 0) limit, we can expand Eq. (8) in R= , (17)
bβ F (R)
powers of D and obtain, to lowest order, a partial differential
equation for S, χ0 = arccos (α), (18)
v0 √
∂S ∂S ω= 1 − α,
− = H r, θ , p = ∇S, pθ = (19)
∂t ∂θ R
= (v0 n̂ + μF ) · p + βτ pθ + up2 + p2θ . (9) and α ≡ μ/(bRβ ). The orbits are stable for any attractive
confining potential, that is V (r) 0, ∀ r, as long as α < 1
Equation (9) is formally equivalent to the Hamilton-Jacobi [31]. Notice that in the limit α → 1− one has χ0 = 0, ω = 0,
equation of a system described by the coordinates r and θ and V (R) = v0 /μ, so that R coincides with the stall point and
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leading to
v0 (1 − α)(1 − α 2 ) v0 (1 − α)2
k= exp − . (27)
2π αR 2αRD
To validate these theoretical results, we performed numer-
ical simulations of Eqs. (1) and (2) for a circular particle of
radius R p confined geometrically by a circular wall of radius
Rw for different values of noise intensity D. The particle-wall
interaction is modeled by a truncated Lennard-Jones (WCA)
potential, U (d ) = 0, for d > 21/6 , and U (d ) = 4(d −12 −
d −6 ) − , for d < 21/6 , where d = (Rw − r)/R p is the re-
duced radial distance between the particle center and the wall.
For each value of D, the equations of motion were integrated
following a stochastic second-order Runge-Kutta algorithm
starting from a perfect counterclockwise circular orbit all the
way until the particle first crosses the separatrix, which in
this case corresponds to the surface χ = 0. The mean escape
time, τesc = k −1 , was then estimated by averaging the crossing
time over 104 realizations of the stochastic force. Once D falls
below a certain threshold, the τesc (1/D) data approaches the
Kramers law, as illustrated in the inset of Fig. 2. The slope
of the fit to the data points in the linear regime (unfilled
points) is taken as an estimate of the activation energy. Finally,
in Fig. 2(b), we show the agreement between the activation
energy estimated from simulations and the analytical result
Eq. (26).
FIG. 3. The most probable escape path (solid line) from counter-
B. Transitions in the harmonic potential and effect
clockwise orbit and the relaxation path (dashes) towards clockwise
of translational noise
orbit for an active particle in parabolic confinement for (a) β = 1.6
Here we consider a much softer kind of confinement, the and (b) β = 1.2 and 2.0. Grayscale lines in panel (a) are 50 randomly
parabolic well V (r) = 21 κr 2 . For this problem, circular orbits chosen nonoptimum escape attempts, which minimize the action S
are the only stable attractors of the dynamics for β > βc ≡ only locally; the lighter the line, the larger the action along the
μ2 κ/bv0 and their radius and tilt angle are given by corresponding path. The transparent noisy lines in panel (b) depict
a small subset of 20 escape trajectories obtained by numerically
βc βc integrating the original stochastic problem for β = 1.2 (red) and 2.0
R = Rstall and χ0 = arccos , (28) (blue). Here, r and β are expressed in units of v0 /κμ and μ2 κ/bv0 ,
β β
respectively.
where Rstall = v0 /κμ is the stall point of the particle in the
harmonic potential. In contrast to the hard-wall case, here the
escape problem cannot be reduced to one dimension, requiring βc = μ2 κ/bv0 ) and u = 0 (negligible translational noise). No-
one to consider the full set of Eqs. (1) and (2) to correctly tice that, since this problem is symmetric with respect to
model the problem. Moreover, the right hand side of these the variable φ, the escape problem can be fully described in
equations cannot be expressed as the gradient of a potential, the rχ plane, with the orbit being represented by a single
so Kramers rate formula does not work here. Therefore, it is point located at (R, χ0 ). A few remarkable points are readily
necessary to find the MPEP by minimizing the action inte- noted: (i) for larger values of β, the MPEP presents a spiral
gral. We perform this task by solving Eqs. (10)–(13) starting shape, meaning that the escape trajectory typically wobbles
from 105 random initial conditions in the close vicinity of around the circular orbit before reaching the boundary; (ii)
the source orbit all the way up to the separatrix, which, by the MPEP ends at the stall point, (r, χ ) = (Rstall , 0), which
symmetry, corresponds to the φ = θ (χ = 0) plane in the rφθ thereby can be viewed as the saddle point for the escape;
phase space. For the initial conditions we fixed a point at (iii) the relaxation from the saddle to the new orbit or back
the orbit, (r, φ, θ ) = (R, 0, χ0 ), and chose 105 different values to the original one (dashed line) is not anti-parallel to the
of the momenta uniformly distributed on the surface of a optimum escape path, which is a consequence of the time
sphere of radius 10−6 and centered at (pr , pφ , pθ ) = (0, 0, 0). irreversibility of the system. In contrast, nonoptimal escape
This shooting method allows for sampling different take-off attempts [shown as gray-shaded lines in Fig. 3(a)] end up
directions, each one generating an escape path that minimizes at a radial position r < Rstall . These paths have higher action
the action locally. The MPEP is chosen as the one path that integral (lighter shade of gray) and therefore are less probable
minimizes S globally. routes.
In Fig. 3 we show the MPEP obtained by this method To validate the MPEP approach applied to this particular
for different values of β (1.2, 1.6, and 2.0, in units of example, we performed simulations of the Langevin equa-
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V. CONCLUSIONS
in Fig. 5, but rotated by π . Similarly, other paths can also be
found by performing symmetry operations as illustrated in the In this study, we introduced a method rooted in the
diagram below. least-action principle to rigorously investigate the noise-
R →L π rotation R → L induced escape of active particles from metastable orbits in
+ − + + the low-noise limit. We methodically analyzed transitions
between various dynamical orbits spanning different confine-
x reflection x reflection ment scenarios. From transitions between basic clockwise and
counterclockwise circular orbits in radially symmetric traps to
R − → L− π rotation R− → L + more complex orbits in elliptic confinements, our theoretical
results align consistently with direct numerical simulations
A crucial question is whether all the paths generated by based on the Langevin equations of motion.
these symmetry operations also minimize the action, that is, The formalism we presented not only simplifies the task
are all of them MPEPs? To be MPEP, each of them must be an of accurately determining the activation energy tied to orbital
equivalent solution of the least-action problem. Notice that the transitions but also offers pivotal insights. One salient reve-
Hamilton’s equations are not invariant under the rotation and lation is that under low-noise conditions, particle adhere to a
reflection operations defined above. However, we can extend well-defined trajectory: the most probable escape path. This
them to the six-dimensional Hamiltonian phase space by also path is intricately influenced by various system parameters,
requiring that (px , py , pθ )→(−px , −py , pθ ) under π rotations such as angular and translational mobilities, self-propulsion
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velocity, and the specific nature of the confining poten- specific behaviors or trajectories are desired. Unveiling the
tial. Furthermore, the derived Hamiltonian equations possess role of noise on switching between different dynamical states
symmetry properties essential for pinpointing degenerate es- can shed light on new strategies for manipulating particle
cape paths and for establishing a hierarchy amidst multiple behaviors for specific tasks.
competing orbits.
Our findings open avenues for expanded research on the
dynamical properties of confined active matter. Potential di-
ACKNOWLEDGMENTS
rections include exploring noise-induced escapes from chaotic
orbits and investigating synchronization phenomena. Beyond We thank L. R. E. Cabral for useful discussions. This work
these theoretical prospects, our results hold potential signifi- was financed in part by Coordenação de Aperfeiçoamento
cance for practical applications. Active particles, due to their de Pessoal de Nível Superior-Brasil (CAPES), Finance Code
persistent motion, can get ensnared in specific dynamical 001. C.C.S.S. is funded by Conselho Nacional de Desenvolvi-
states. Such patterns, while intriguing, can introduce com- mento Científico e Tecnológico-Brasil (CNPq), Grant No.
plications in real-world scenarios, like drug delivery, where 312240/2021-0.
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