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Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

Energy fluctuations and the singularity of specific heat in a 3D Ising model

J. Kaupužs

Published May 25, 2004• 2 citations
Publisher

Abstract

We study the energy fluctuations in 3D Ising model near the phase transition point. Specific heat is a relevant quantity which is directly related to the mean squared amplitude of the energy fluctuations in the system. We have made extensive Monte Carlo simulations in 3D Ising model to clarify the character of the singularity of the specific heat Cv based on the finite-size scaling of its maximal values Cvmax depending on the linear size of the lattice L. An original iterative method has been used which automatically finds the pseudocritical temperature corresponding to the maximum of Cv. The simulations made up to L ≤ 128 with application of the Wolff's cluster algorithm allowed us to verify the possible power-like as well as logarithmic singularity of the specific heat predicted by different theoretical treatments. The most challenging and interesting result we have obtained is that the finite-size scaling of Cvmax in 3D Ising model is well described by a logarithmic rather than power-like ansatz, just like in 2D case. Another modification of our iterative method has been considered to estimate the critical coupling of 3D Ising model from the Binder cumulant data within L ε [96; 384]. Furthermore, the critical exponent β has been evaluated from the simulated magnetization data within the range of reduced temperatures t ≥ 0.000086 and system sizes L ≤ 410.

DOI
10.1117/12.546493

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•Jan 1, 1992•0 citations
We study the energy fluctuations in 3D Ising model near the phase transition point. Specific heat is a relevant quantity which is directly related to the mean squared amplitude of the energy fluctuations in the system. We have made extensive Monte Carlo simulations in 3D Ising model to clarify the character of the singularity of the specific heat Cv based on the finite-size scaling of its maximal values Cvmax depending on the linear size of the lattice L. An original iterative method has been used which automatically finds the pseudocritical temperature corresponding to the maximum of Cv. The simulations made up to L ≤ 128 with application of the Wolff's cluster algorithm allowed us to verify the possible power-like as well as logarithmic singularity of the specific heat predicted by different theoretical treatments. The most challenging and interesting result we have obtained is that the finite-size scaling of Cvmax in 3D Ising model is well described by a logarithmic rather than power-like ansatz, just like in 2D case. Another modification of our iterative method has been considered to estimate the critical coupling of 3D Ising model from the Binder cumulant data within L ε [96; 384]. Furthermore, the critical exponent β has been evaluated from the simulated magnetization data within the range of reduced temperatures t ≥ 0.000086 and system sizes L ≤ 410.
The singularity of specific heat CV of the three-dimensional Ising model is studied based on Monte Carlo data for lattice sizes L≤1536. Fits of two data sets, one corresponding to certain value of the Binder cumulant and the other — to the maximum of CV, provide consistent values of C0 in the ansatz CV (L) =C0+ALα/ν at large L, if α/ν = 0.196(6). However, a direct estimation from our CVmaxC^{max}_VCVmax​ data suggests that α/ν, most probably, has a smaller value (e.g., α/ν=0.113(30)). Thus, the conventional power-law scaling ansatz can be questioned because of this inconsistency. We have found that the data are well described by certain logarithmic ansatz.
In this work, Markov Chain-Monte Carlo technique was used to study the phase transition in two and three dimensional Ising Model (IM) in a square and cubic lattice. The study of temperature dependence of average magnetization and specific heat in different magnetic fields has been carried out in the 3x3 and 3x3x3 lattice with periodic boundary. Critical temperature point kBTc / J for 2D and 3D Ising Model has been observed at around 2.2 and 4.3 respectively at zero field. Our work satisfies Onsager’s critical value in 2D IM. The simulation suggests bifurcation in average magnetization below critical temperature Tc. Temperature plays the role of increasing randomness of spins. We found that Ising Model in small lattice size still retains interesting features like spontaneous magnetization and symmetry breaking below Tc at B = 0. At a non-zero field, the likelihood of spins to prefer certain alignment depends on the direction of the external field and magnitude of magnetization depends on magnitude of field ±B. Specific heat Cv, which gives us fluctuation of energy at particular temperature, has been found to attain maximum value at critical regions.
The corrections to finite-size scaling in the critical two-point correlation function G(r) of 2D Ising model on a square lattice have been studied numerically by means of exact transfer-matrix algorithms. The systems have been considered, including up to 800 spins. The calculation of G(r) at a distance r equal to the half of the system size L shows the existence of an amplitude correction proportional to 1/L^2. A nontrivial correction ~1/L^0.25 of a very small magnitude also has been detected, as it can be expected from our recently developed GFD (grouping of Feynman diagrams) theory. Monte Carlo simulations of the squared magnetization of 3D Ising model have been performed by Wolff's algorithm in the range of the reduced temperatures t =< 0.000086 and system sizes L =< 410. The effective critical exponent beta_eff(t) tends to increase above the currently accepted numerical values. The critical coupling K_c=0.22165386(51) has been extracted from the Binder cumulant data within 96 =< L =< 384. The critical exponent 1/nu, estimated from the finite-size scaling of the derivatives of the Binder cumulant, tends to decrease slightly below the RG value 1.587 for the largest system sizes. The finite-size scaling of accurately simulated maximal values of the specific heat C_v in 3D Ising model confirms a logarithmic rather than power-like critical singularity of C_v.
We analyse Monte Carlo data for the energy and specific heat at and close to the critical point of the 3D cubic Ising model. From the finite-size scaling of the energy E and the specific heat C at criticality we obtain the estimate . Furthermore, one obtains precise estimates for the `backgrounds' (nonsingular parts) and . Fitting solely off-critical energy estimates to a scaling law, we find, depending on the choice of the reduced temperature, either and , or and . Including information from the data at , we obtain the estimate . We also determine the universal combination in both phases.
We analyse Monte Carlo data for the energy and specific heat at and close to the critical point of the 3D cubic Ising model. From the finite size scaling of the energy E and the specific heat C at criticality we obtain the estimate nu = 0.6308(10). Furthermore, one obtains precise estimates for the ``backgrounds'' (nonsingular parts) E_ns and C_ns. Fitting solely off critical energy estimates to a scaling law, we find depending on the choice of the reduced temperature, either A_+/A_- = 0.550(12) and alpha=0.1115(37), or A_+/A_- = 0.567(16) and alpha=0.1047(48). Including information from the data at T_c, we obtain the estimate A_+/A_- = 0.560(10). We also determine the universal combination f_s xi^3 in both phases.
In chapter one, we explain briefly the continuum limit, scaling, and high temperature expansion of critical phenomena, Monte Carlo algorithms and fitting. In chapter two, different continuum limits of the Ising model in dimensions (D) 2, 3 and 4 are investigated numerically. The data indicate that triviality occurs for D = 4 and fails for D < 4 in each limit. In chapter three, a relation between the critical exponents of the leading and confluent scaling terms is derived using the finite size scaling argument. We also determine the new scaling variable of the 4D Ising model based on a new Monte Carlo simulation data. In chapter four, a Monte Carlo study of two dimensional diluted Ising systems is reported. It is shown that regular dilution does not affect critical exponents, while a random one does, with critical exponents varying continuously with impurity concentration. The importance of fluctuations in producing such effects is emphasized. In chapter five, a different point of view regarding the critical exponent of the specific heat of the 3D Ising model is presented. Based on the analysis of high temperature expansion, finite size scaling and Monte Carlo data in the symmetric phase of the 3D Ising model, it is shown that logarithmic scaling behavior of specific heat is more consistent than power scaling behavior.