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The Ising model can be used to simulate other systems besides ferromagnets; examples include anti ferromagnets, binary alloys, and even fluids. The Ising model of a fluid is called a lattice gas. We imagine that space is divided into a lattice of sites, each of which can be either occupied by a gas molecule or unoccupied. The system has no kinetic energy, and the only potential energy comes from interactions of molecules on adjacent sites. Specifically, there is a contribution of -u0to the energy for each pair of neighbouring sites that are both occupied.

(a) Write down a formula for the grand partition function for this system, as a function of u0, T, and p.

(b) Rearrange your formula to show that it is identical, up to a multiplicative factor that does not depend on the state of the system, to the ordinary partition function for an Ising ferromagnet in the presence of an external magnetic field B, provided that you make the replacements u04and 2BB-8. (Note that is the chemical potential of the gas while uB is the magnetic moment of a dipole in the magnet.)

(c) Discuss the implications. Which states of the magnet correspond to low density states of the lattice gas? Which states of the magnet correspond to high-density states in which the gas has condensed into a liquid? What shape does this model predict for the liquid-gas phase boundary in the P-T plane?

Short Answer

Expert verified

Therefore,

ZN=exp-H1exp+2u0NL

Step by step solution

01

Given information

The Ising model can be used to simulate other systems besides ferromagnets; examples include anti ferromagnets, binary alloys, and even fluids. The Ising model of a fluid is called a lattice gas. We imagine that space is divided into a lattice of sites, each of which can be either occupied by a gas molecule or unoccupied. The system has no kinetic energy, and the only potential energy comes from interactions of molecules on adjacent sites. Specifically, there is a contribution of -u0to the energy for each pair of neighbouring sites that are both occupied.

02

Explanation

Hamiltonian of this system is:

H=-u0i,jninj

Hamiltonian of in the Ising model is:

HI=-i,jsisj-20Bs

Because there can only be one particle in a single lattice site, ni =0,1, and it can have spin s1 = -1 or s1 = 1, we can write following relation for the occupation of a lattice site and the spin:

si=2ni-1ni=si+12

Plugging this expression into the first Hamiltonian, we get:

H=-u0i,jsi+12sj+12=-u04i,jsi+1sj+1=-u04i,jsisj+si+sj+1=-u04i,jsisj-u02si+const

is the number of nearest neighbours, and for a square lattice all sites have the same number of neighbours: =4

By comparison with the Hamiltonian of the Ising model, we can see that=u0/4oru0=4

Grand canonical Hamiltonian is:

H-N=-u04i,jsisj-2u0si+const.-siH-N=-u04i,jsisj-+2u0si+const

Where, is chemical potential

03

Explanation

Now we can see that we will get the Hamiltonian of the Ising model if we Use substitutions: u0=4and20B=+8

Rewriting the equation:

H-N=H1-+2u0NL

Where NL is the total number of lattice sites

Grand partition function is:

ZN=exp[-(H-N)]

Canonical partition function of the Ising model is:Z1=exp-H1. So these two partition functions are related:

ZN=exp[-(H-N)]ZN=Z1exp+2u0NL

If the relation between occupation of the lattice site and the spin is:

si=2ni-1

We can see that for ni = 0 (empty site) we will have s1= -1. So, magnetic state of si = -1 will correspond to the low density of lattice gas.

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Most popular questions from this chapter

Modify the ising program to compute the total magnetisation (that is, the sum of all the s values) for each iteration, and to tally how often each possible magnetisation value occurs during a run, plotting the results as a histogram. Run the program for a 5 x 5 lattice at a variety of temperatures, and discuss the results. Sketch a graph of the most likely magnetisation value as a function of temperature. If your computer is fast enough, repeat for a 10 x 10 lattice.

Modify the ising program to simulate a one-dimensional Ising model.

(a) For a lattice size of 100, observe the sequence of states generated at various temperatures and discuss the results. According to the exact solution (for an infinite lattice), we expect this system to magnetise only as the temperature goes to zero; is the behaviour of your program consistent with this prediction? How does the typical cluster size depend on temperature?

(b) Modify your program to compute the average energy as in Problem 8.27. Plot the energy and heat capacity vs. temperature and compare to the exact result for an infinite lattice.

(c) Modify your program to compute the magnetisation as in Problem 8.28. Determine the most likely magnetisation for various temperatures and sketch a graph of this quantity. Discuss.

In this problem you will use the mean field approximation to analyse the behaviour of the Ising model near the critical point.

(a) Prove that, when x1,tanhxx-13x3

(b) Use the result of part (a) to find an expression for the magnetisation of the Ising model, in the mean field approximation, when T is very close to the critical temperature. You should find MTc-T,where(not to be confused with 1/kT) is a critical exponent, analogous to the f defined for a fluid in Problem 5.55. Onsager's exact solution shows that =1/8in two dimensions, while experiments and more sophisticated approximations show that 1/3in three dimensions. The mean field approximation, however, predicts a larger value.

(c) The magnetic susceptibility is defined as (M/B)T. The behaviour of this quantity near the critical point is conventionally written as T-Tc- , where y is another critical exponent. Find the value of in the mean field approximation, and show that it does not depend on whether T is slightly above or slightly below Te. (The exact value of y in two dimensions turns out to be 7/4, while in three dimensions 1.24.)

Modify the Ising program to simulate a three-dimensional Ising model with a simple cubic lattice. In whatever way you can, try to show that this system has a critical point at aroundT=4.5.

Problem 8.10. Use a computer to calculate and plot the second virial coefficient for a gas of molecules interacting via the Lennard-Jones potential, for values of kT/u0 ranging from 1to 7. On the same graph, plot the data for nitrogen given in Problem 1.17, choosing the parameters r0 and u0so as to obtain a good fit.

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