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Aug 25, 2016

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Sei sulla pagina 1di 10

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.

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

3

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 .

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

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

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

5

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.

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

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.

2

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)

7

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)

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

i(i + 2k)

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

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

8

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 >.

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.

10

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