Computational Physics - Department of Physics

(Axel Boer) #1

428 13 Monte Carlo Methods in Statistical Physics


Z= 2 e−^8 Jβ+ 2 e^8 Jβ+ 12 ,

and resulting mean energy


〈E〉=−

J

Z

(

16 e^8 Jβ− 16 e−^8 Jβ

)

,

it is a highly non-trivial task to find the closed-form expression forZNin the thermodynamic
limit. The closed-form expression for the Ising model in twodimensions was obtained via a
mathematical tour de force in 1944 by the Norwegian chemist Lars Onsager [73]. The exact
partition function forNspins in two dimensions and with zero magnetic fieldBis given by


ZN=

[

2 cosh(βJ)eI

]N

,

with


I=

1

2 π

∫π
0

dφln

[

1

2

(

1 + ( 1 −κ^2 sin^2 φ)^1 /^2

)]

,

and
κ= 2 sinh( 2 βJ)/cosh^2 ( 2 βJ).


The resulting energy is given by


〈E〉=−Jcoth( 2 βJ)

[

1 +^2

π
( 2 tanh^2 ( 2 βJ)− 1 )K 1 (q)

]

,

withq= 2 sinh( 2 βJ)/cosh^2 ( 2 βJ)and the complete elliptic integral of the first kind


K 1 (q) =

∫π/ 2
0



1 −q^2 sin^2 φ

.

Differentiating once more with respect to temperature we obtain the specific heat given by


CV=^4 kB
π
(βJcoth( 2 βJ))^2

{

K 1 (q)−K 2 (q)−( 1 −tanh^2 ( 2 βJ))


2
+ ( 2 tanh^2 ( 2 βJ)− 1 )K 1 (q)

]}

,

(13.1)
where


K 2 (q) =

∫π/ 2
0



1 −q^2 sin^2 φ, (13.2)

is the complete elliptic integral of the second kind. Near the critical temperatureTCthe
specific heat behaves as


CV≈−

2

π

(

2 J

kBTC

) 2

ln

∣∣

∣∣ 1 −T

TC

∣∣

∣∣+const. (13.3)

In theories of critical phenomena one ca show that for temperaturesTbelow a critical
temperatureTC, the heat capacity scales as [75]


CV∼

∣∣

∣∣ 1 −T

TC

∣∣

∣∣

−α
,

and Onsager’s result is a special case of this power law behavior. The limiting form of the
function
limα→ 01
α
(Y−α− 1 ) =−lnY,


can be used to infer that the closed-form result is a special case of the power law singularity
withα= 0.
Similar relations applies to other expectation values. An example is the the spontaneous
magnetisation per spin. This quantity is also highly non-trivial to compute. Here we simply

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