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Study of Classical models for Heat pumps

Arnab Datta
SR no. 09923
Project Guide: Prof. Abhishek Dhar (ICTS)
August 7, 2016

Introduction
Due to advanced experimental techniques to probe miniaturized molecules of
biological and condensed matter systems, understanding thermodynamics of
small systems has received a lot of attention in the recent years. In particular,
designing microscopic models for heat pumping mechanism has become subject
of large number of studies in the last two decades.
For my project, I studied two particular types of coupled systems to see if they
work as heat pumps. (i)A system consists of two coupled harmonic oscillators,
each separately in contact with a heat reservoir. The spring constant of the
oscillators are time dependent and two heat baths are kept at different temperatures. (ii)The other system also contains two coupled particles each separately
in contact with heat baths of different temperature. Both the particles are in a
double well potential. A time dependent force is acting on each of the particles.
The problem is to see under what parameter range do these systems work as
heat engines or refrigerators, if at all possible.
The motivation of constructing classical heat pumps comes from its quantum
counterpart. Quantum pumps are examples of mesoscopic heat pumps which
are recently being studied extensively and also been realized experimentally.
A simple example of a quantum pump is two coupled quantum dots, each of
which are separately in contact with particle reservoir which are at the same
chemical potential. On one dot ac gate voltage v1 = v0 cos(t) and on the other
dot ac gate voltage v2 = v0 cos(t + ) is applied. This results in a net flow of
particle current whose sign depends on the phase difference . Another model
of quantum heat pump is given by Segal and Nitzan[6], where a molecule with
two allowed energy levels is in contact with two different heat baths. The energy
levels are modulated in a periodic way. They showed that by taking heat baths
with different spectral properties and couplings to the molecule it is possible to
pump heat from cold to hot reservoir.
The systems I studied has the same basic design as the first quantum system
just mentioned. But unlike the quantum version these systems cannot work as
heat engines or pumps at zero temperatures as thermal noise plays an important role. Also, an essential feature for the quantum pump to work seems to be
a periodic variation of two out of phase time dependent parameters(e.g. gate
voltages). In the systems I studied, this feature is incorporated by making the
spring constants(first system) or forces acting on the particles(second system)
periodic and out of phase.

Particles in a double well potential:


Problem statement :
Two particles, each of which are separately in contact with heat baths of temperature T1 and T2 , respectively. The particles are in a double well potential of the
form, V (x) = 12 k1 x2 + 14 k2 x4 . The particles are coupled with coupling constant
c and driven by periodic forces h1 (t) = h0 sin(t) and h2 (t) = h0 sin(t + ),
respectively.
In this project, only the overdamped regime is considered. So, the Hamiltonian of the system is,
H = V1 (x) + V2 (y) cxy h1 (t)x h2 (t)y
where, V1 (x) and V2 (y) are the double well potential mentioned before. For the
simulation, Vi (x) = bi ( 21 x2 + 41 x4 ).

Figure 1: V (x) = 21 x2 + 14 x4
So, the Langevin equations are,
1 x = b1 (x + x3 ) + cy + h0 sin(t) + 1 ......(i)
2 y = b2 (y + y 3 ) + cx + h0 sin(t + ) + 2 ....(ii)
where 1 and 2 are noise terms with, < i (t) >= 0 and < i (t)j (t0 ) >=
2kB Ti i,j (t t0 ), i, j {1, 2}.
Now, multiplying equation (i) by x and equation (ii) by y and adding them, we
get,
H = (1 x + 1 )x + (2 y + 2 )y h1 x h2 y,
which has the obvious interpretation of an energy conservation equation[3]. Averaging over the noise we get,
U = Q 1 + Q 2 + W 1 + W 2
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Where, U =< H > is the rate of change of internal energy of the whole system,
Q 1 =< (1 x + 1 )x > and Q 2 =< (2 y + 2 )y > are the rates at which
heat is absorbed from bath 1 and bath 2 respectively, W 1 =< h1 x > and
W 2 =< h2 y > are the rates at which work is done on particle 1 and 2 respectively. Since the driving forces are periodic, the quantities of interest are the
time-averaged rates of heat exchanges and work done, evaluated at steady state,
RT
RT
1,2 , where T = 2/.
i.e, the quantities q1,2 = T1 0 Q 1,2 and w 1,2 = T1 0 W
The problem is now to see if it is possible to make this system work as a heat
engine, i.e, to get w = w1 + w2 < 0 or to make the system work as a heat pump,
i.e, to get q2 > 0 if T1 > T2 .

Earlier work on a similar problem and motivation:


As a foreground, I studied a paper by Marathe, Jayannavar and Dhar[2] where
the authors dealt with a similar problem. In that paper they considered a
discrete spin-system which consists of two Ising spins driven by time-dependent
magnetic fields hL (t) = h0 cos(t), hR (t) = h0 cos(t + ), respectively, and
each interacting with separate heat reservoirs. The Hamiltonian of the system
is given by,
H = J1 2 hL (t)1 hR (t)2 ,

1,2 = 1

The time evolution of the spins is given by Glauber dynamics, generalized to the
case of two heat baths, with temperatures TL and TR . So, the Glauber spin-flip
rates are given by, rL1 2 = r(1L 1 2 )(1L 1 ) and rR1 2 = r(1R 1 2 )(1
R 2 ). Where, L,R = tanh(J/kTL,R ) and L,R = tanh(hL,R /kTL,R ) and r is a
rate constant.
The authors solved the corresponding master equation nemerically and showed
that for some specific parameter values, the system works both as a heat engine
and a heat pump.

Result:
In this project, I have numerically solved equations (i) and (ii) to evaluate q1 ,
q2 , w.

From the Hamiltonian of this system we can see that, though continuous, this
system has some clear similarities with the spin-system. Here x and y plays the
role of 1 and 2 and transition of the particles from one well to another can
be compared with spin-flipping.
So, we expect that for similar value of parameteres as the spin-problem, this

system would function as a heat engine and a heat pump.


For the simulation, I took b1 = 16, b2 = 8, T1 = 1.0, T2 = 0.5, c = 1, h0 = 0.6,
T = 190. Now , for the spin problem simulation[2], the authors have taken
r = 0.5, i.e, when J = 0, h0 = 0, spin-flip rate r = 0.5. Here,using Kramers
rate formula, to obtain the same transition rate, we set i = 2bi e(bi /4Ti ) /,
which gives 1 = 0.132 and 2 = 0.066. The simulation result for w is given
below.

0.003

0.0025
0.002

0.0015
0.001
0.0005
0
0.0005
0.001
0

Figure 2: Plot of w as a function of phase difference

Conclusion:
Preliminary investigation with coupled particles moving in double well potential
seem to suggest that, under choice of certain set of parameters, the system
behaves like a heat engine. For example, in Fig.2, when is between and 3/2,
w becomes negative, which means that work is done by the system. However,
understanding the precise regime in which the system behaves like a heat engine
needs more careful investigation. Further, it is also interesting to see how the
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rate with which heat is getting pumped to the reservoir, i.e, q1 , q2 and so, under
what parameter regimes the entire system behaves like a heat pump. Carrying
out these studies is going to be part of my future work.

Coupled Harmonic Oscillator:


Problem statement:
Two harmonic oscillators are separately in contact with heat baths of temperatures T1 and T2 , respectively . The oscillators are coupled with coupling constant
kc and the spring constant of the harmonic oscillators are kx (t) = k0 +k1 cos(0 t)
and ky (t) = k0 + k1 cos(0 t + ). So, the hamiltonian of the system is,
H=

1
1
1
1
mx 2 + my 2 + kx x2 + ky y 2 kc xy
2
2
2
2

So, the corresponding Langevin equations are,


x
= kx (t)x + kc y 1 x + 1 (t)...(i)
and
y = ky (t)y + kc x 2 y + 2 (t)...(ii)
Where, we have taken m = 1 and 1 and 2 are viscosity coefficients of particles
1 and 2 respectively.
1 and 2 are noise terms with < i >= 0 and < i j >= 2kB Ti i i,j (t t0 )
where i, j {1, 2}.
As before, The problem is now to see if it is possible to make this system
work as a heat engine, i.e, to get w = w1 + w2 < 0 or to make the system
work as a heat pump, i.e, to get q2 > 0 if T1 > T2 . Here W 1 =< 21 kx x2 > and
W 2 =< 1 ky y 2 > and Q 1 , Q 2 has the same definition as the previous problem.
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Result and Conclusion:


In this project, I showed that in the case where k1  k0 , kc , the system cannot
work as a heat pump. The calculation steps are given below.
For simplicity, we here show the proof for the overdamped case with k0 = kc = k
and 1 = 2 = 1. The proof for the general case can be done similarly. Also,
we set kB = 1
So, in this case, the Langevin equations are,
x = (k + k1 cos(0 t))x + ky + 1 .....(1)
and
y = (k + k1 cos(0 t + ))y + kx + 2 .....(2)
Now, let, x(t) = x0 (t) + x1 (t) and y(t) = y0 (t) + y1 (t), where x0 (t) and y0 (t)
satisfies the equations,
x0 = kx0 + ky0 + 1 .....(3)
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and
y0 = ky0 + kx0 + 2 .....(4)
x1 (t) and y1 (t) are the perturbation terms. So, from equations (1) and (2),
ignoring the second order terms, we get the equations,
x1 = kx1 + ky1 k1 cos(0 t)x0 .....(5)
and
y1 = ky1 + kx1 k1 cos(0 t + )y0 .....(6)
Now, taking Fourier transform of equations (3), (4)), we get,
ix0 () = kx0 () + ky0 () + 1 ()....(7)
and
iy0 () = ky0 () + kx0 () + 2 ()....(8)
Solving these two equations, we get,
x0 ()

y0 ()

(i + k)1 () + k2 ()
i(i + 2k)

a()1 () + b()2 () (say),

(i + k)2 () + k1 ()
i(i + 2k)

= a()2 () + b()1 ()

Similarly, taking Fourier transform of equations (5) and (6), we get,


x1 ()

k1
k1
a()(x0 ( + 0 ) + x0 ( 0 )) b()(y0 ( + 0 )ei + y0 ( 0 )ei ),
2
2

y1 ()

k1
k1
b()(x0 ( + 0 ) + x0 ( 0 )) a()(y0 ( + 0 )ei + y0 ( 0 )ei ).
2
2

To compute q1 , we see,
Q 1 =< (x 0 + 1 )x 0 > < 2x 0 x 1 > < x 21 > + < 1 x 1 >
By our convention,
Z Z
d1 d1 i(1 +2 )t
e
(i1 )(i2 ) < x0 (1 )x0 (2 ) >
< x 20 >=
2 2
Putting in the expression for x0 () and using < i ()j ( 0 ) >= 4Ti i,j ( +
0 ), we get,
k
< (x 0 + 1 )x 0 >= (T1 T2 )
2
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RT
Next, we compute T1 0 dt < 1 x 1 >. After putting in the expressions for x1 (),
x0 (), we see, < 1 x 1 > is of the form,
Z
Z
< 1 x 1 >= ei0 t dc() + ei0 t dd()
RT
So, T1 0 dt < 1 x 1 >= 0. Similarly, we can show that,
RT
So, q1 = k2 (T1 T2 ) T1 0 dt < x 21 >
In the same way, we can show that, q2 = k2 (T2 T1 )

1
T

1
T

RT
0

RT
0

dt < 2x 0 x 1 >= 0.

dt < y 12 >.

So, if T1 > T2 , q2 is always negative as the second term in the expression is


always negative. So, the system cannot work as a heat pump. Following similar
steps, we can also show that when k1  k0 , kc , the system cannot work as a
heat engine either.

References:
1. The Feynman Lectures on Physics (vol. 1).
2. Two simple models of classical heat pumps, Rahul Marathe, A. M. Jayannavar and Abhishek Dhar, DOI: 10.1103/PhysRevE.75.030103.
3. Langevin Equation and Thermodynamics, Ken Sekimoto, Progress of Theoretical Physics Supplement No. 130, 1998.
4. L. Brillouin, Phys. Rev. 78:627-628 (1950).
5. H. S. Leffand A. F. Rex, Maxwells Demon: Information, Entropy, Computing, A. Hilger (Europe) and Princeton U.P. (USA) (1990).
6. D. Segal and A. Nitzan, Phys. Rev. E 73, 026109 (2006).
7. Information Processing and the Second Law of Thermodynamics: An Inclusive, Hamiltonian Approach, Sebastian Deffner and Christopher Jarzynski,
DOI: 10.1103/PhysRevX.3.041003.

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