Analytic Solution of an Active Brownian Particle in a Harmonic Well Michele Caraglio1and Thomas Franosch1 1Institut f ur Theoretische Physik Universit at Innsbruck

2025-04-27 0 0 1.73MB 11 页 10玖币
侵权投诉
Analytic Solution of an Active Brownian Particle in a Harmonic Well
Michele Caraglio1and Thomas Franosch1
1Institut f¨ur Theoretische Physik, Universit¨at Innsbruck,
Technikerstraße 25/2, A-6020 Innsbruck, Austria
(Dated: October 11, 2022)
We provide an analytical solution for the time-dependent Fokker-Planck equation for a two-
dimensional active Brownian particle trapped in an isotropic harmonic potential. Using the passive
Brownian particle as basis states we show that the Fokker-Planck operator becomes lower diagonal,
implying that the eigenvalues are unaffected by the activity. The propagator is then expressed as
a combination of the equilibrium eigenstates with weights obeying exact iterative relations. We
show that for the low-order correlation functions, such as the positional autocorrelation function,
the recursion terminates at finite order in the P´eclet number allowing us to generate exact compact
expressions and derive the velocity autocorrelation function and the time-dependent diffusion coeffi-
cient. The nonmonotonic behavior of latter quantities serves as a fingerprint of the non-equilibrium
dynamics.
It is hard to overstate the role of the harmonic oscil-
lator is physics. Being a paradigmatic model for waves
and vibrational phenomena, it serves as a workhorse in
both classical and quantum physics describing diverse
phenomena such as springs, pendulums, molecular vibra-
tions, acoustic oscillations, laser traps, electromagnetic
fields in a cavity, and resonant electrical circuits, just to
name a few [1,2]. Any smooth potential can be approxi-
mated by a harmonic potential in the vicinity of a stable
equilibrium point [1] and even advanced tools like second
quantization in quantum field theory have their roots in
the mathematics of harmonic oscillations [3].
Active matter and directed motion have come under
the spotlight of several research communities, includ-
ing biology [47], biomedicine [810], robotics [11,12],
and statistical physics [1325]. However, notwithstand-
ing more than two decades of scientific efforts on self-
propelled particles, some basic theoretical aspects have
remained elusive since exactly solvable models of even
single active particles are rare. Generally, in external
confining potentials, the steady-state probability distri-
bution is not known analytically, with the notable excep-
tions of active Brownian particles in channels [26] or sed-
imenting in a gravitational field [27], and run-and-tumble
particles in one dimension [2831]. The complete charac-
terization of the time-dependent probability distribution
for a particle starting with certain initial conditions is
even more challenging. In this case, no analytical ex-
pressions are known for confining potentials, and in free
space only solutions in the Fourier domain have been pro-
vided for single active Brownian particle [3235] and for
run-and-tumble dynamics [36].
The active Brownian particle (ABP) has become the
minimal paradigm for self-propelled particles and it is al-
ready able to describe with a certain accuracy the prop-
erties of motion of a large fraction of existing microswim-
mers [14,19]. Such active particle can be trapped and
monitored by optical [37] or acoustic [38] tweezers which
are well represented by harmonic potentials. While sim-
ulations of ABPs in a harmonic trap can easily be per-
formed by integrating the Langevin equations of motion,
analytical progress is hindered because, despite the lin-
earity of the restoring force, the problem remains nonlin-
ear due to the constraint that the orientation can merely
rotate. Recent significant advance has been achieved by
Malakar et al. [39] for the stationary solution of the asso-
ciated Fokker-Planck equation. They express the steady-
state probability in the form of a power-series expansion
in the P´eclet number, a parameter indicating the relative
importance of active motion compared to diffusion. How-
ever, the full time-dependent probability distribution of
an ABP in a harmonic trap still remains elusive.
Here we show that, taking the eigenstates of the pas-
sive Brownian particle as an orthonormal basis and upon
proper ordering of these states, the entire Fokker-Planck
operator becomes lower diagonal. This implies that not
only the ground state but the entire eigenvalue spectrum
of the Fokker-Planck operator remains unaltered when
introducing the activity. These surprising findings al-
lows us to provide an exact expression for the probabil-
ity propagator of an ABP in a two-dimensional harmonic
well, thus going beyond existing theoretical approxima-
tions [4042] and complementing numerical simulations,
and experiments [38,43]. We also show that exact ex-
pressions of any moment or correlation function can be
readily derived from our solution.
Model. We characterize the overdamped motion of
a two-dimensional ABP in terms of the propagator
P(r, ϑ, t|r0, ϑ0) which is the probability to find the par-
ticle at position rand orientation ϑat lag time tgiven
the initial position r0and orientation ϑ0at time t= 0.
Its time evolution is provided by the Fokker-Planck equa-
tion [44]
tP=·(µkrP) + D2P+Drot2
ϑPvu·P,(1)
in short tP= Pwith Ω the Fokker-Planck opera-
tor and the formal solution of the propagator is thus
arXiv:2210.04205v1 [cond-mat.soft] 9 Oct 2022
2
P(r, ϑ, t|r0, ϑ0) = etδ(rr0)δ(ϑϑ0). The first term
on the r.h.s. of Eq. (1) describes the drift motion due
to the harmonic potential U(r) = kr2/2 with spring con-
stant k > 0, whereas µis the mobility of the particle.
The second term encodes the translational diffusion with
diffusion coefficient D. The ratio D=kBTintroduces
an effective temperature which for a passive particle cor-
responds to the temperature of the solvent. The rota-
tional diffusion of the ABP is described by the third term
with rotational diffusion coefficient Drot, while the last
term corresponds to the self-propulsion of the particle
with fixed velocity valong the orientation of the parti-
cle, u= (cos ϑ, sin ϑ). In the case of a passive particle,
v= 0, the equilibrium distribution corresponds to the
Boltzmann distribution peq(r, ϑ)eU(r)/kBT, or, with
proper normalization Rdrdϑ peq(r, ϑ) = 1,
peq(r, ϑ) = expr2/2d2
4π2d2,(2)
where d:= pkBT/k is the thermal oscillator length. In
particular, the translational and orientational degrees of
freedom are decoupled.
Theory. The Fokker-Planck operator Ω in Eq. (1) ap-
pears to be non-Hermitian already in equilibrium, v= 0.
However, in this case it can be made manifestly Hermi-
tian by a gauge transformation [44]. Here we circumvent
this detour and define a new operator Lby splitting off
the equilibrium density
Ω [peq(r, ϑ)ψ(r, ϑ)] =: peq(r, ϑ)Lψ(r, ϑ),(3)
where ψ(r, ϑ) is an arbitrary function depending on the
coordinates rand ϑonly. Then Lcan be naturally de-
composed
L=L0+ Pe L1,(4)
into an equilibrium contribution L0and the non-
equilibrium driving L1, where Pe := vd/D denotes the
P´eclet number and in the following will act as an expan-
sion parameter. In polar coordinates r=r(cos ϕ, sin ϕ)
the equilibrium operator is expressed as
L0ψ=D
rr(rrψ) + D
r22
ϕψ+Drot2
ϑψDr
d2rψ ,
(5)
while the active part reads
L1ψ=D
dïcos(χ)rψ1
rsin(χ)ϕψ+r
d2cos(χ)ψò,
(6)
where χ:= (u,r) = ϑϕabbreviates the relative angle
between orientation and position.
Then one readily shows that the equilibrium operator
L0is Hermitian, hφ|L0ψi=hL0φ|ψi, with respect to the
Kubo scalar product
hφ|ψi:= ZdrZ2π
0
dϑ peq(r, ϑ)φ(r, ϑ)ψ(r, ϑ),(7)
and correspondingly its eigenvalues are real and left and
right eigenfunctions coincide. The solution the Hermitian
eigenvalue problem of the equilibrium reference system,
L0ψ=λψ , (8)
is obtained by a separation ansatz following precisely the
steps of the 2D isotropic harmonic oscillator in the quan-
tum case [45,46] augmented by the uncoupled orienta-
tional diffusion. Explicitly, the eigenfunctions read
ψn,`,j (r, ϑ)=n!
(n+|`|)! År
d2ã|`|
L|`|
nÅr2
2d2ãei`ϕei(j`)ϑ,
(9)
where L|`|
n(x) are the generalized Laguerre polynomi-
als [47]. Here nN0and `, j Z. The quantum numbers
(n, `, j) correspond to the 3 degrees of freedom (r, ϕ, ϑ)
in polar coordinates. The associated eigenvalue is
λn,`,j =1
τ(2n+|`|) + Drot(j`)2,(10)
with the trap relaxation time τ=d2/D = 1/µk.
Since L0is unchanged under rotations of the position
or the orientation of the particle it commutes with the
corresponding generators L=i∂ϕand S=i∂ϑwhich,
borrowing a quantum language, we refer to as ‘orbital
momentum’ and ‘spin’. The eigenfunctions ψn,`,j are
simultaneous eigenfunctions to orbital momentum and
spin with eigenvalues `and s:= j`. For the active
particle L=L0+ Pe L1remains invariant only under a
simultaneous rotation of position and orientation, such
that the total ‘angular momentum’ J=L+Sis con-
served. Hence, in the full problem jwill be still a good
quantum number.
Note that the eigenfunctions of the equilibrium ref-
erence system are orthonormalized with respect to the
Kubo scalar product (7)
hψn0,`0,j0|ψn,`,j i=δj,j0δ`,`0δn,n0,(11)
and fulfill the completeness relation,
peq(r, ϑ)
X
n=0
X
`=−∞
X
j=−∞
ψn,`,j (r, ϑ)ψn,`,j (r0, ϑ0)
=δ(rr0)δ(ϑϑ0).(12)
Moving our attention back to the full problem for an
active particle, the formal expression of the propagator
3
5 0 5
x/d
5
0
5
y/d
t= 0.2
simulations
0.00
0.05
0.10
0.15
0.20
0.25
0.30
0.35
0.40
5 0 5
x/d
5
0
5
y/d
t= 1.0
0.00
0.01
0.02
0.03
0.04
0.05
0.06
0.07
0.08
5 0 5
x/d
5
0
5
y/d
t= 100.0
0.0000
0.0025
0.0050
0.0075
0.0100
0.0125
0.0150
0.0175
0.0200
5 0 5
x/d
5
0
5
y/d
numerics
0.00
0.05
0.10
0.15
0.20
0.25
0.30
0.35
0.40
5 0 5
x/d
5
0
5
y/d
0.00
0.01
0.02
0.03
0.04
0.05
0.06
0.07
0.08
5 0 5
x/d
5
0
5
y/d
0.0000
0.0025
0.0050
0.0075
0.0100
0.0125
0.0150
0.0175
0.0200
FIG. 1. Spatial probability distribution at different times tstarting with initial condition r0= 4d,ϕ0= 0, and ϑ0=π/2.
Comparison between simulations and numerics for Pe = 4 and Drot τ= 0.8. For the simulations, statistics has been collected
from 2 ·105independent realizations of the process.
allows us to write
P(r, ϑ, t|r0, ϑ0) = etδ(rr0)δ(ϑϑ0)
=peq(r, ϑ)X
n,`,j eLtψn,`,j (r, ϑ)ψn,`,j (r0, ϑ0)
=peq(r, ϑ)X
n,`,j hrϑ|eLt|ψn,`,j ihψn,`,j |r0ϑ0i,(13)
where, going from the first to the second line, we used
Eqs. (12) and (3) and, in the third line, we rely on
Dirac’s bra-ket notation where the isomorphism between
|ψiand ψ(r, ϑ) is made explicit by introducing general-
ized position/orientation states |rϑisuch that ψ(r, ϑ) =
hrϑ|ψi[48]. Then, exploiting twice the identity relation
X
n,`,j |ψn,`,j ihψn,`,j |=1,(14)
Eq. (13) can be finally recast in
P(r, ϑ, t|r0, ϑ0)
=peq(r, ϑ)X
n,`,j
Mn,`,j (r0, ϑ0, t)ψn,`,j (r, ϑ),(15)
with
Mn,`,j (r0, ϑ0, t) := hψn,`,j |eLt|r0ϑ0i.(16)
Note that the functions Mn,`,j (r0, ϑ0, t) depend only on
time tand on the initial conditions (r0, ϑ0), which greatly
simplifies the numerical implementation.
To make further progress we rely on the renowned
Dyson equation, familiar from quantum theory [2], for
the time evolution operator
eLt=eL0t+ Pe Zt
0
ds eL0(ts)L1eLs,(17)
which can be inserted in Eq. (16), together with the iden-
tity (14), to obtain a useful integral relation for the func-
tions Mappearing in the propagator
Mn,`,j (r0, ϑ0, t) = eλn,`,j thψn,`,j |r0ϑ0i+
+PeZt
0
dsïeλn,`,j (ts)
×X
n0,`0,j0hψn,`,j |L1|ψn0,`0,j0iMn0,`0,j0(r00,s)ò.(18)
For active particles, Pe >0, the operator L1introduces
couplings between the eigenstates |ψn,`,j i. Starting from
Eqs. (6) and (9), one readily obtains (see also Ref. [39]
for a comparison to the steady-state solution)
L1|ψn,`,j i=
1
2τ
n+`+1 |ψn,`+1,j in+1 |ψn+1,`1,j iif ` > 0,
n+1 |ψn,`+1,j i+n+1 |ψn,`1,j iif `=0,
n`+1 |ψn,`1,j in+1 |ψn+1,`+1,j iif ` < 0.
(19)
As anticipated, the action of the operator L1does not
modify the quantum number j. Furthermore, its nature
摘要:

AnalyticSolutionofanActiveBrownianParticleinaHarmonicWellMicheleCaraglio1andThomasFranosch11InstitutfurTheoretischePhysik,UniversitatInnsbruck,Technikerstrae25/2,A-6020Innsbruck,Austria(Dated:October11,2022)Weprovideananalyticalsolutionforthetime-dependentFokker-Planckequationforatwo-dimensionala...

展开>> 收起<<
Analytic Solution of an Active Brownian Particle in a Harmonic Well Michele Caraglio1and Thomas Franosch1 1Institut f ur Theoretische Physik Universit at Innsbruck.pdf

共11页,预览3页

还剩页未读, 继续阅读

声明:本站为文档C2C交易模式,即用户上传的文档直接被用户下载,本站只是中间服务平台,本站所有文档下载所得的收益归上传人(含作者)所有。玖贝云文库仅提供信息存储空间,仅对用户上传内容的表现方式做保护处理,对上载内容本身不做任何修改或编辑。若文档所含内容侵犯了您的版权或隐私,请立即通知玖贝云文库,我们立即给予删除!
分类:图书资源 价格:10玖币 属性:11 页 大小:1.73MB 格式:PDF 时间:2025-04-27

开通VIP享超值会员特权

  • 多端同步记录
  • 高速下载文档
  • 免费文档工具
  • 分享文档赚钱
  • 每日登录抽奖
  • 优质衍生服务
/ 11
客服
关注