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arXiv:cond-mat/0410583 · Physical Review Letters

Calculation of Partition Functions by Measuring Component Distributions

Alexander K. Hartmann

Published Feb 7, 2005• 46 citations
arXivHTMLPDF

Abstract

A new algorithm is presented, which allows us to calculate numerically the partition function Z for systems, which can be described by arbitrary interaction graphs and lattices, e.g., Ising models or Potts models (for arbitrary values q>0), including random or diluted models. The new approach is suitable for large systems. The basic idea is to measure the distribution of the number of connected components in the corresponding Fortuin-Kasteleyn representation and to compare with the case of zero degrees of freedom, where the exact result Z=1 is known. As an application, d=2 and d=3 dimensional ferromagnetic Potts models are studied, and the critical values qc, where the transition changes from second to first order, are determined. Large systems of sizes N=1000(2) and N=100(3) are treated. The critical value qc(d=2)=4 is confirmed and qc(d=3)=2.35(5) is found.

DOI
10.1103/physrevlett.94.050601

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A new algorithm is presented, which allows us to calculate numerically the partition function Z for systems, which can be described by arbitrary interaction graphs and lattices, e.g., Ising models or Potts models (for arbitrary values q>0), including random or diluted models. The new approach is suitable for large systems. The basic idea is to measure the distribution of the number of connected components in the corresponding Fortuin-Kasteleyn representation and to compare with the case of zero degrees of freedom, where the exact result Z=1 is known. As an application, d=2 and d=3 dimensional ferromagnetic Potts models are studied, and the critical values qc, where the transition changes from second to first order, are determined. Large systems of sizes N=1000(2) and N=100(3) are treated. The critical value qc(d=2)=4 is confirmed and qc(d=3)=2.35(5) is found.
The Q-state Potts model can be extended to noninteger and even complex Q by expressing the partition function in the Fortuin-Kasteleyn (F-K) representation. In the F-K representation the partition function Z(Q,a) is a polynomial in Q and v=a-1 (a=e(betaJ)) and the coefficients of this polynomial, Phi(b,c), are the number of graphs on the lattice consisting of b bonds and c connected clusters. We introduce the random-cluster transfer matrix to compute Phi(b,c) exactly on finite square lattices with several types of boundary conditions. Given the F-K representation of the partition function we begin by studying the critical Potts model Z(CP)=Z(Q,a(c)(Q)), where a(c)(Q)=1+square root[Q]. We find a set of zeros in the complex w=square root[Q] plane that map to (or close to) the Beraha numbers for real positive Q. We also identify Q(c)(L), the value of Q for a lattice of width L above which the locus of zeros in the complex p=v/square root[Q] plane lies on the unit circle. By finite-size scaling we find that 1/Q(c)(L)-->0 as L-->infinity. We then study zeros of the antiferromagnetic (AF) Potts model in the complex Q plane and determine Q(c)(a), the largest value of Q for a fixed value of a below which there is AF order. We find excellent agreement with Baxter's conjecture Q(AF)(c)(a)=(1-a)(a+3). We also investigate the locus of zeros of the ferromagnetic Potts model in the complex Q plane and confirm that Q(FM)(c)(a)=(a-1)(2). We show that the edge singularity in the complex Q plane approaches Q(c) as Q(c)(L) approximately Q(c)+AL(-y(q)), and determine the scaling exponent y(q) for several values of Q. Finally, by finite-size scaling of the Fisher zeros near the antiferromagnetic critical point we determine the thermal exponent y(t) as a function of Q in the range 2</=Q</=3. Using data for lattices of size 3</=L</=8 we find that y(t) is a smooth function of Q and is well fitted by y(t)=(1+Au+Bu2)/(C+Du) where u=-(2/pi)cos(-1)(squareroot[Q]/2). For Q=3 we find y(t) approximately 0.6; however if we include lattices up to L=12 we find y(t) approximately 0.50(8) in rough agreement with a recent result of Ferreira and Sokal [J. Stat. Phys. 96, 461 (1999)].
The Ising and QQQ-state Potts models are statistical mechanical models of spins interaction on crystal lattices. \nWe study the partition functions on a range of lattices, particularly two- and three-dimensional cases. The study aims to investigate cooperative phenomena −-− how higher level structure is affected by the detailed activity of a very large number of lower level structures. \nWe investigate the analytic properties of the partition functions and their relationship to physical observables in equilibrium near phase transition. \nOur study is focussed on describing the partition function and the distribution of zeros of the partition function in the complex-temperature plane close to phase transitions. \nHere we first consider the solved case of the Ising model on square lattice as a benchmark for checking our method of computation and analysis. \nThe partition function is computed using a transfer matrix approach and the zeros are found numerically by Newton-Raphson method. \nWe extend the study of QQQ-state Potts models to a more general case called the ZQZ_QZQ​-symmetric model. \nWe evidence the existence of multiple phase transitions for this model in case Q=5,6,Q=5,6,Q=5,6, and discuss the possible connection to different stages of disordered state. \nGiven sufficient and efficient coding and computing resources, we extend many previously studied cases to larger lattice sizes. \nOur analysis of zeros distribution close to phase transition point is based on a certain power law relation which leads to critical exponent of physical observable. \nWe evidence for example, that our method can be used to give numerical estimates of the specific heat critical exponent alpha\\alphaalpha.
The distribution of zeros of the partition function for one-dimensional lattice system of generalized Ising spins with magnitude unity is studied, where it is assumed that the component spins interact with the nearest neighbours through a ferromagnetic coupling and each spin state has a certain degeneracy. The spin states are denoted by variable σ which can take either of three values, plus and minus unities and zero with the respective degeneracies, D(1), D(0) and D(-1), where it is assumed D(1) = D(-1). zeros of the partition function Z(ζ) of the system as exposed to an external magnetic field are studied on the ζ-plane, where ζ=exp(H) indicates the exponential function of the external field divided by temperature H and it is regarded as a complex number. The distribution of zeros is classified into three typical patterns, corresponding to the respective three regions on the plane of temperature(T) versus degneracy ratio (ρ=D(0)/D(1)): Zeros never lie on the unit circle in the region of larger ρ, all on the unit circle in the region of smaller ρ and only a part on the unit circle in the remaining region. On the basic of this result, it is expected in the case of two- or three-dimensional system that phase trasitions of first and second orders occur in tha cases of ρ larger and smaller than acritical calue ρc, respectively.
Abstract We compute the exact partition function for the 3-state Potts model on square lattices of several sizes larger than previously accessible. Making comparison with the exactly solved Ising model we show that, for aspects of the analytic structure close to the ferromagnetic transition point, these lattices are large enough to approach the thermodynamic limit. Subject to certain assumptions this allows for computation of estimates for the specific heat critical exponent. We thus obtain an estimate for this exponent. The estimate is consistent with the known result, thus demonstrating the potential use of this method for other models. We also discuss the antiferromagnetic transition.
To study the relations between Yang-Lee's theory of the phase transitions and the distribution of the zeros of the partition functions in the antiferromagnetic case, the partition functions of finite (4×4 and 4×6) Ising model with the nearest and the next nearest neighbor interactions are calculated. The distributions of the zeros in the fugacity z plane of the partition function for various combinations of the values of J / k T - J '/ k T or tanh ( J /2 k T )-tanh ( J '/2 k T ) are investigated. The patterns of the distribution of the zeros show several types corresponding to ferromagnetic state, antiferromagnetic state and superantiferromagnetic state. In the antiferromagnetic ordered state the locus of the zeros is found to be nearly two concentric circles and to cross the positive real axis at two points z c and 1/ z c when the next neighbor ferromagnetic interaction is introduced. This means that our system shows the phase transitions at finite critical fields H c and - H c . The locus of zeros of Fisher's model of super-exchange antiferromagnet is also shown to cross the positive real axis at z c and 1/ z c below the Néel temperature.
Our aim is to investigate the critical behaviour of lattice spin models such as the three-dimensional Ising model in the thermodynamic limit. The exact partition functions (typically summed over the order of 1075 states) for finite simple cubic Ising lattices are computed using a transfer matrix approach. Q-state Potts model partition functions on two- and three-dimensional lattices are also computed and analysed. Our results are analysed as distributions of zeros of the partition function in the complex-temperature plane. We then look at sequences of such distributions for sequences of lattices approaching the thermodynamic limit. For a controlled comparison, we show how a sequence of zero distributions for finite 2d Ising lattices tends to Onsager’s thermodynamic solution. Via such comparisons, we find evidence to suggest, for example, a thermodynamic limit singular point in the behaviour of the specific heat of the 3d Ising model.