Geodesic path for the optimal nonequilibrium transition Momentum-independent protocol Geng Li1C. P. Sun1 2and Hui Dong1

2025-05-06 0 0 1.22MB 10 页 10玖币
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Geodesic path for the optimal nonequilibrium transition: Momentum-independent
protocol
Geng Li,1C. P. Sun,1, 2 and Hui Dong1,
1Graduate School of China Academy of Engineering Physics, Beijing 100193, China
2Beijing Computational Science Research Center, Beijing 100193, China
Accelerating controlled thermodynamic processes requires an auxiliary Hamiltonian to steer the
system into instantaneous equilibrium states. An extra energy cost is inevitably needed in such
finite-time operation. We recently develop a geodesic approach to minimize such energy cost for
the shortcut to isothermal process. The auxiliary control typically contains momentum-dependent
terms, which are hard to be experimentally implemented due to the requirement of constantly mon-
itoring the speed. In this work, we employ a variational auxiliary control without the momentum-
dependent force to approximate the exact control. Following the geometric approach, we obtain the
optimal control protocol with variational minimum energy cost. We demonstrate the construction
of such protocol via an example of Brownian motion with a controllable harmonic potential.
I. INTRODUCTION
The quest to accelerate a system evolving toward a
target equilibrium state is ubiquitous in various applica-
tions [1–8]. In the biological pharmacy, pathogens are ex-
pected to evolve to an optimum state with maximal drug
sensitivity [1–4]. Controlling the evolution of pathogens
towards the target state with a considerable rate is crit-
ically relevant to confronting the threat of increasing
antibiotic resistance and determining optimal therapies
for infectious disease and cancer. In adiabatic quantum
computation, the solution of the optimization problem is
transformed to the ground state of the problem Hamil-
tonian [5–8]. Speeding up the computation requires to
steer the system evolving from a trivial ground state to
another nontrivial ground state within finite time. These
examples require to tune the system from one equilibrium
state to another one within finite time.
The scheme of shortcuts to isothermality was devel-
oped as such a control strategy to maintain the system
in instantaneous equilibrium states during evolution pro-
cesses [9–11]. Relevant results have been applied in accel-
erating state-to-state transformations [12–15], raising the
efficiency of free-energy landscape reconstruction [16, 17],
designing the nano-sized heat engine [18–21], and steer-
ing biological evolutions [3, 4]. Additional energy cost
is required due to the irreversibility in the finite-time
driving processes. Much effort has been devoted to find
the minimum energy requirement in the driving processes
[22–28]. We recently proved that the optimal path for
the shortcut scheme is equivalent to the geodesic path in
the geometric space spanned by control parameters [29].
Such an equivalence allows us to find the optimal path
through methods developed in geometry.
Implementing such shortcut scheme remains a chal-
lenge task since the driving force required in the short-
cut scheme is typically momentum-dependent [7, 8, 15].
One solution is to use an approximate scheme [17, 30]
hdong@gscaep.ac.cn
to replace the exact one. Such scheme has been applied
in the underdamped case to obtain a driving force with-
out any momentum terms. The key idea is to use an
approximate auxiliary control without the momentum-
dependent terms.
In this work, we employ the variational method and
the geometric approach to find an experimental proto-
col with minimum dissipation for realizing the shortcut
scheme. In Sec. II, we briefly introduce the shortcut
scheme and the geometric approach for finding the opti-
mal control protocol with minimum energy cost. In Sec.
III, we apply a variational method to overcome the dif-
ficulty of the momentum-dependent terms in the driving
force. As illustrated in Fig. 1, the variational method is
separated into two steps. In step I, a variational shortcut
scheme is used to obtain an approximate auxiliary con-
trol without high-order momentum-dependent terms. In
step II, a gauge transformation scheme is used to remove
the linear momentum-dependent terms and an experi-
mentally testable protocol is obtained. In Sec. IV, we
demonstrate our protocol through a Brownian particle
moving in the harmonic potential with two controllable
parameters. In Sec. V, we conclude the paper with ad-
ditional discussions.
II. GEOMETRIC APPROACH AND THE
AUXILIARY HAMILTONIAN
In this section, we briefly review our geodesic approach
of the shortcut to isothermality and show the possible
experimental difficulties to apply the obtained auxiliary
Hamiltonian.
Consider a system with the Hamiltonian Ho(~x, ~p, ~
λ) =
Pip2
i/(2m) + Uo(~x, ~
λ)immersed in a thermal reser-
voir with a constant temperature T. Here ~x
(x1, x2,··· , xN)are coordinates, ~p (p1, p2,··· , pN)
are momentum, mis mass, and ~
λ(t)(λ1, λ2,··· , λM)
are time-dependent control parameters. In the shortcut
scheme, an auxiliary Hamiltonian Ha(~x, ~p, t)is added to
steer the evolution of the system along the instantaneous
arXiv:2210.10986v1 [cond-mat.stat-mech] 20 Oct 2022
2
Step I: Variational shortcut Step II: Gauge transformationExact shortcut
Equivalent
process
Approximate
process
Schematic example of a Brownian particle with the Hamiltonian
Evolution equation:
Auxiliary control:
Instantaneous distribution:
Auxiliary control:
Evolution equation:
Instantaneous distribution:
Auxiliary control:
Evolution equation:
Instantaneous distribution:
(momentum-dependent) (linearly momentum-dependent) (momentum-independent)
FIG. 1. (Color online) Schematic example of a Brownian particle with the Hamiltonian Ho=p2/(2m) + λx2/2. The dynamical
evolution of the system is governed by the Langevin equation, where γis the dissipation coefficient. In the shortcut scheme,
a momentum-dependent auxiliary control Hais added to escort the system distribution in the instantaneous equilibrium
distribution Peq. In step I, a variational shortcut scheme is used to obtain an approximate auxiliary control H
awhich can
keep the system in the approximate equilibrium distribution P
eq. In step II, a gauge transformation scheme is used to obtain
a momentum-independent auxiliary control Uawhich can maintain the system distribution in PID.
equilibrium states Peq = exp[β(FHo)] in the finite-time
interval t[0, τ]with the boundary conditions Ha(0) =
Ha(τ) = 0.Here F≡ −β1ln[RRd~xd~p exp(βHo)] is
the free energy and β= 1/(kBT)is the inverse temper-
ature with the Boltzmann constant kB. The probability
distribution of the system’s microstate P(~x, ~p, t)evolves
according to the Kramers equation
P
t =X
i
[
xi
(H
pi
P)+
pi
(H
xi
P+γH
pi
P)+ γ
β
2P
p2
i
],
(1)
where HHo+Hais the total Hamiltonian, and γis
the dissipation coefficient. The auxiliary Hamiltonian is
proved to have the form Ha(~x, ~p, t) = ˙
~
λ·~
f(~x, ~p, ~
λ)with
~
f(~x, ~p, ~
λ)depending on
X
i
[γ
β
2Ha
p2
iγpi
Ha
pi
+Ha
pi
Ho
xipi
Ha
xi
] = dF
dt Ho
t .
(2)
The boundary conditions for the auxiliary Hamiltonian
Ha(t)are presented explicitly as ˙
~
λ(0) = ˙
~
λ(τ)=0.The
irreversible energy cost Wirr WFin the shortcut
scheme follows as [29]
Wirr =X
µν Zτ
0
dt ˙
λµ˙
λνgµν ,(3)
where the positive semi-definite metric is gµν =
γPih(fµ/∂pi)(fν/∂pi)ieq with h·ieq =RRd~xd~p[·]Peq.
Here W≡ hRτ
0dt∂tHiis the mean work with h·i repre-
senting the ensemble average over stochastic trajectories
and FF(~
λ(τ)) F(~
λ(0)) is the free energy differ-
ence. The metric gµν endows a Riemannian manifold in
the space of thermodynamic equilibrium states marked
by the control parameters ~
λ. Minimizing the irreversible
work in Eq. (3) is equivalent to finding the geodesic path
in the geometric space with the metric gµν . This prop-
erty allows us to obtain the optimal control protocol in
the shortcut scheme by using methods developed in ge-
ometry [31].
Generally, the auxiliary Hamiltonian Haare
momentum-dependent that are hard to be imple-
mented. For example, the auxiliary Hamiltonian for a
one-dimensional harmonic system Ho=p2/(2m)+λx2/2
is obtained as [9, 29] Ha=˙
λ[(pγx)2+mλx2]/(4γλ).
The quadratic momentum-dependent term p2and the
linear momentum-dependent term xp in the auxiliary
Hamiltonian are hard to be realized in experiment
due to the requirement of constantly monitoring the
momentum [8].
III. APPROXIMATE SHORTCUT SCHEME
The variational shortcut scheme is an approximation
of the exact shortcut scheme. The auxiliary Hamiltonian
Hain the exact shortcut scheme is replaced by the ap-
proximate auxiliary Hamiltonian H
a. We define a semi-
摘要:

Geodesicpathfortheoptimalnonequilibriumtransition:Momentum-independentprotocolGengLi,1C.P.Sun,1,2andHuiDong1,1GraduateSchoolofChinaAcademyofEngineeringPhysics,Beijing100193,China2BeijingComputationalScienceResearchCenter,Beijing100193,ChinaAcceleratingcontrolledthermodynamicprocessesrequiresanauxil...

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