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arXiv:1112.1387 · International Journal of Modern Physics C

SYSTEMATIC ENUMERATION OF CONFIGURATION CLASSES FOR ENTROPIC SAMPLING OF ISING MODELS

Bruno Jeferson Lourenço, Ronald Dickman

Published Aug 1, 2012• 6 citations
arXivHTMLPDF

Abstract

We describe a systematic method for complete enumeration of configuration classes (CCs) of the spin-1/2 Ising model in the energy-magnetization plane. This technique is applied to the antiferromagnetic (AF) Ising model in an external magnetic field on the square lattice, which is simulated using the tomographic entropic sampling (TES) algorithm. We estimate the number of configurations, Ω(E,m,L), and related microcanonical averages, for all allowed energies E and magnetizations m for L = 10 to 30, with ΔL = 2. With prior knowledge of the CCs, we can be sure that all allowed classes are sampled during the simulation. Complete enumeration of CCs also enables us to use the final estimate of Ω(E,m,L) to obtain good initial estimates, Ω0(E,m,L′), for successive system sizes (L′ > L) through a two-dimensional interpolation. Using these results we calculate canonical averages of the thermodynamic quantities of interest as continuous functions of temperature T and external field h. In addition, we determine the critical line in the h-T plane using finite-size scaling analysis, and compare these results with several approximate theoretical expressions.

DOI
10.1142/s0129183112400074

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We describe a systematic method for complete enumeration of configuration classes (CCs) of the spin-1/2 Ising model in the energy-magnetization plane. This technique is applied to the antiferromagnetic (AF) Ising model in an external magnetic field on the square lattice, which is simulated using the tomographic entropic sampling (TES) algorithm. We estimate the number of configurations, Ω(E,m,L), and related microcanonical averages, for all allowed energies E and magnetizations m for L = 10 to 30, with ΔL = 2. With prior knowledge of the CCs, we can be sure that all allowed classes are sampled during the simulation. Complete enumeration of CCs also enables us to use the final estimate of Ω(E,m,L) to obtain good initial estimates, Ω0(E,m,L′), for successive system sizes (L′ > L) through a two-dimensional interpolation. Using these results we calculate canonical averages of the thermodynamic quantities of interest as continuous functions of temperature T and external field h. In addition, we determine the critical line in the h-T plane using finite-size scaling analysis, and compare these results with several approximate theoretical expressions.
In this work we study the Ising antiferromagnetic model in an external magnetic field on the square lattice using a new sampling method, called tomographic entropic sampling. The purpose of this new entropic sampling algorithm is to visit the whole configurational space to yield good estimates of the number of system configurations, . To do so, we define fundamental classes of configurations on the square lattice. These classes partition the set of accesible configurations. In this way we can be sure that all possible classes are visited during the sampling. We estimate (L) from L = 10 to 30, using _L = 2. Then we calculate the microcanonical and canonical averages of the thermodynamic quantities of interest. We use finite size scaling analysis to determine the critical line in the h T plane, and compare these results with an approximate theoretical expression derived by Müller-Hartmann and Zittartz. We also analyse the crossing Binders cumulant of the order parameter in a critical point. In addition, at three points along the critical line, we study the critical properties of the system and estimate the critical exponents related to the order parameter, _, and to the staggered susceptibility (related to the order parameter), __.
Abstract We study the critical properties of the antiferromagnetic spin-1/2 Ising model in an external field on the square lattice. Using tomographic entropic sampling, a flat-histogram simulation method, we estimate the number of configurations, , and related microcanonical averages in the energy-magnetization space, for system sizes L = 10–30. The critical line and exponents are calculated using finite-size scaling analysis in the temperature-external field plane. With these estimates in hand, we perform detailed studies of critical behavior using Metropolis sampling of larger systems ( ). These results are compared to several approximate theoretical methods. Our estimates of critical exponents and Binder’s reduced fourth cumulant along the critical line are in very good agreement with their respective literature values for the two-dimensional Ising universality class. We verify as well that the specific heat scales along the critical line, as expected for an Ising-like critical point.
Monte Carlo simulations using entropic sampling to estimate the number of configurations of a given energy are a valuable alternative to traditional methods. We introduce tomographic entropic sampling, a scheme which uses multiple studies, starting from different regions of configuration space, to yield precise estimates of the number of configurations over the full range of energies, without dividing the latter into subsets or windows. Applied to the Ising model on the square lattice, the method yields the critical temperature to an accuracy of about 0.01%, and critical exponents to 1% or better. Predictions for system sizes L=10-160, for the temperature of the specific heat maximum, and of the specific heat at the critical temperature, are in very close agreement with exact results. For the Ising model on the simple cubic lattice the critical temperature is given to within 0.003% of the best available estimate; the exponent ratios β/ν and γ/ν are given to within about 0.04% and 1%, respectively, of the literature values. In both two and three dimensions, results for the antiferromagnetic critical point are fully consistent with those of the ferromagnetic transition. Application to the lattice gas with nearest-neighbor exclusion on the square lattice again yields the critical chemical potential and exponent ratios β/ν and γ/ν to good precision.
We propose and test a new implementation of the tomographic entropic sampling (TES) algorithm based on the 1/t algorithm. We use t (with = 0, 1/2, 1 and 2) as a refinement factor of () (number of configurations in configuration class ). The rate of convergence is evaluated for the maximum of the specific heat, cmax, for the antiferromagnetic (AF) Ising model with external field on the square lattice, as well for the shop scheduling problem a typical subject of computer science and production engineering. We verify for both systems that convergence occurs for = 1; for = 1/2 there is also convergence, slower than for = 1 though. For = 0 and 2, however, there is no convergence. We simulated the AF Ising model for systems of sizes L = 10 to 30with L = 2; the critical line in the temperatureexternal field; critical exponents are evaluated via finite size scaling using TES for = 0 and 1. We also employed Metropolis sampling for larger sizes (L 320) in order to improve the estimates of critical points and exponents, as well the reduced fourth order Binder cumulant, along the critical line. Thesecritical estimates are in good agreement with their respective known literature values of the universality class of the two-dimensional Ising model. We also verify that the specific heat scales as ln L along the critical line, as expected.
To demonstrate the application of computational physics in modern statistical physics, this paper investigates the critical behavior of a finite-size ferromagnetic system based on the two-dimensional square-lattice Ising model.A nearest-neighbor Ising Hamiltonian is constructed, and periodic boundary conditions are adopted to reduce finite-boundary effects.The Metropolis Monte Carlo algorithm is used to sample spin configurations at different temperatures, while energy, magnetization, specific heat, magnetic susceptibility and Binder cumulant are calculated to describe the transition from an ordered state to a disordered state.The simulation results show that the system exhibits clear long-range order at low temperatures, where the order parameter remains high.As temperature increases, thermal fluctuations become stronger, magnetization decreases rapidly, and the system gradually evolves into a disordered state.The specific heat curve shows a pronounced peak at approximately (T = 2.269), while the susceptibility peak shifts slightly toward the high-temperature side due to finite-size effects and the discrete temperature grid.Overall, the simulated critical region is consistent with the theoretical critical temperature of the two-dimensional square-lattice Ising model.Spin-configuration analysis further reveals enhanced fluctuations and domain reconstruction near the critical region.In addition, a thermalization criterion and an extended sampling test for L = 48 near the critical region are added to examine the influence of finite sampling and equilibration.These results indicate that Monte Carlo simulation of the two-dimensional Ising model can effectively reproduce continuous phase transition, critical fluctuation and finite-size effects, providing a basic computational case for understanding critical phenomena in complex systems and data-driven physical analysis.
Parallel algorithm of partition function calculation of two-dimensional Ising model for systems with a finite number of spins was developed. Within a method of complete enumeration by using MPI technology with subsequent optimization of a parallel code time of calculations was reduced considerably. Partition function was calculated for systems of 16, 25, 36 Ising spins. Based on the obtained results, main thermodynamic and magnetic values dependences (such as heat capacity, magnetic susceptibility, mean square magnetization) for ferromagnetic and antiferromagnetic interactions was investigated. The analysis of a different configurations contribution showed, that states with the minimum energy have essential influence on dependences of thermodynamic values. Comparison with the results obtained by the Wang Landau algorithm was performed.