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 u04ϵand μ2μBB-8ϵ. (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-βH1·expβμ+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=-ϵi,jsisj-2μ0Bs

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+12·sj+12=-u04i,jsi+1sj+1=-u04i,jsisj+si+sj+1=-u04i,jsisj-u0·ξ2si+const

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

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

Grand canonical Hamiltonian is:

H-μN=-u04i,jsisj-2u0si+const.-μsiH-μN=-u04i,jsisj-μ+2u0si+const

Where, μis chemical potential

03

Explanation

Now we can see that we will get the Hamiltonian of the Ising model if we Use substitutions: u0=4ϵand2μ0B=μ+8ϵ

Rewriting the equation:

H-μN=H1-μ+2u0NL

Where NL is the total number of lattice sites

Grand partition function is:

ZN=exp[-β(H-μN)]

Canonical partition function of the Ising model is:Z1=exp-βH1. So these two partition functions are related:

ZN=exp[-β(H-μN)]ZN=Z1·expβμ+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

The critical temperature of iron is 1043K. Use this value to make a rough estimate of the dipole-dipole interaction energy ε, in electron-volts.

For each of the diagrams shown in equation 8.20, write down the corresponding formula in terms of f-functions, and explain why the symmetry factor gives the correct overall coefficient.

Draw all the connected diagrams containing four dots. There are six diagrams in total; be careful to avoid drawing two diagrams that look superficially different but are actually the same. Which of the diagrams would remain connected if any single dot were removed?

Modify the ising program to compute the average energy of the system over all iterations. To do this, first add code to the initialise subroutine compute the initial energy of the lattice; then, whenever a dipole is flipped, change the energy variable by the appropriate amount. When computing the average energy, be sure to average over all iterations, not just those iterations in which a dipole is actually flipped (why?). Run the program for a 5 x 5 lattice for T values from 4 down to l in reasonably small intervals, then plot the average energy as a function of T. Also plot the heat capacity. Use at least 1000 iterations per dipole for each run, preferably more. If your computer is fast enough, repeat for a 10x 10 lattice and for a 20 x 20 lattice. Discuss the results. (Hint: Rather than starting over at each temperature with a random initial state, you can save time by starting with the final state generated at the previous, nearby temperature. For the larger lattices you may wish to save time by considering only a smaller temperature interval, perhaps from 3 down to 1.5.)

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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