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Physical review. B, Solid state

Monte Carlo studies of the kinetic Ising model

H. C. Bolton, C. H. J. Johnson

Published Apr 1, 1976• 34 citations
Publisher

Abstract

Results are presented for the computer simulation of the time-dependent behavior of the Ising model on a 100 \ifmmode\times\else\texttimes\fi{} 100 lattice. Groups of particles are regarded as samples from an infinite lattice and the interactions between the sample particles and those outside are expressed through new boundary conditions based on extending the concept of mean field in a self-consistent way. These new boundary conditions are explored analytically for a few small samples and a sharp critical point is found in contrast to periodic boundary conditions. The relaxation times for long-range order and nearest-neighbor correlation (energy) for the 100 \ifmmode\times\else\texttimes\fi{} 100 system have been computed and the corresponding critical exponents estimated. The results are ${\ensuremath{\Delta}}_{\ensuremath{\delta}\ensuremath{\mu}}=2.30\ifmmode\pm\else\textpm\fi{}0.30$ and ${\ensuremath{\Delta}}_{\ensuremath{\delta}\mathcal{H}}=0.38\ifmmode\pm\else\textpm\fi{}0.04$; these are compared with other recent results from computer simulations and series calculations.

DOI
10.1103/physrevb.13.3025

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We report the results of a Monte Carlo investigation of the (equilibrium) time-displaced correlation functions for the magnetization and energy of a simple cubic Ising model as a function of time, temperature, and lattice size. The simulations were carried out on a CDC CYBER 205 supercomputer employing a high-speed, vectorized multispin coding program and using a total of 5\ifmmode\times\else\texttimes\fi{}${10}^{12}$ Monte Carlo spin-flip trials. We used L\ifmmode\times\else\texttimes\fi{}L\ifmmode\times\else\texttimes\fi{}L lattices with periodic boundary conditions and L as large as 96. The short-time and long-time behaviors of the correlation functions are analyzed by fits to a sum of exponential decays, and the critical exponent z for the largest relaxation time is extracted using a finite-size-scaling analysis. Our estimate z=2.04\ifmmode\pm\else\textpm\fi{}0.03 resolves an intriguing contradiction in the literature; it satisfies the theoretical lower bound and is in agreement with the prediction obtained by \ensuremath{\epsilon} expansion. We also consider various small systematic errors that typically occur in the analysis of relaxation functions and show how they can lead to spurious results if sufficient care is not exercised.

Physical review. B, Condensed matter•Mar 1, 1991•129 citations
Results are presented for the computer simulation of the time-dependent behavior of the Ising model on a 100 \ifmmode\times\else\texttimes\fi{} 100 lattice. Groups of particles are regarded as samples from an infinite lattice and the interactions between the sample particles and those outside are expressed through new boundary conditions based on extending the concept of mean field in a self-consistent way. These new boundary conditions are explored analytically for a few small samples and a sharp critical point is found in contrast to periodic boundary conditions. The relaxation times for long-range order and nearest-neighbor correlation (energy) for the 100 \ifmmode\times\else\texttimes\fi{} 100 system have been computed and the corresponding critical exponents estimated. The results are \ensuremathΔ\ensuremathδ\ensuremathμ=2.30\ifmmode±\else\textpm\fi0.30{\ensuremath{\Delta}}_{\ensuremath{\delta}\ensuremath{\mu}}=2.30\ifmmode\pm\else\textpm\fi{}0.30\ensuremathΔ\ensuremathδ\ensuremathμ​=2.30\ifmmode±\else\textpm\fi0.30 and \ensuremathΔ\ensuremathδH=0.38\ifmmode±\else\textpm\fi0.04{\ensuremath{\Delta}}_{\ensuremath{\delta}\mathcal{H}}=0.38\ifmmode\pm\else\textpm\fi{}0.04\ensuremathΔ\ensuremathδH​=0.38\ifmmode±\else\textpm\fi0.04; these are compared with other recent results from computer simulations and series calculations.
The critical dynamics of the two dimensional Kinetic Ising Model have been studied using Monte Carlo Real Space Renormalization Group techniques. Time dependent correlation functions were calculated for square lattices of 16 x 16 and 32 x 32 spins, using periodic boundary conditions wth 60,000 and 15,000 Monte Carlo steps per spin, respectively;The critical exponent z was estimated using a matching process for a variety of renormalization group operators. The estimates for z were surprisingly sensitive to small changes in the value of the renormalization group operator, with physically reasonable operators giving estimates for z less than the rigorous lower bound for z of z(,o) = 1.75. The estimates for z from a given renormalization group operator showed poor convergence properties. Attempts to estimate z from the scaling form of the correlation function were inconclusive, as were attempts to estimate the static exponent (eta);Possible explanations of these unexpected results are discussed. The most plausible source of the complex behavior seen in this work is the discrete nature of time in the Monte Carlo computer simulation, which generates phenomena not present in standard theoretical treatments of the Kinetic Ising Model.
An alternative to periodic boundary conditions is developed and tested in Monte Carlo simulations of the two- and three-dimensional Ising models. The boundary conditions are based on a mean-field approach that incorporates consistency constraints for the magnetization and correlations between nearest neighbors by means of an effective field and an extra coupling between nearest neighbors at the boundary of the simulation box. During the simulation the self-consistent equations are solved, and statistics are accumulated to obtain thermodynamic averages. In comparison with the standard periodic boundary conditions the method gives a more accurate estimation of nonuniversal magnitudes, such as the transition temperature and the behavior of the magnetization, but it cannot compete with the accuracy of other strategies such as finite-size scaling theory or Monte Carlo renormalization group to obtain critical exponents.
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.
Extending the Monte Carlo method to dynamic critical phenomena we investigated the time-dependent correlation functions in the two-dimensional one-spin-flip Ising model and the critical behavior of the associated relaxation times. These relaxation times are the following: ${\ensuremath{\tau}}_{\ensuremath{\delta}\ensuremath{\mu}}^{\ensuremath{\Delta}T}$, characterizing the approach of the order parameter to equilibrium after a change of temperature $\ensuremath{\Delta}T$ of the system; ${\ensuremath{\tau}}_{\ensuremath{\delta}\ensuremath{\mu}\ensuremath{\delta}\ensuremath{\mu}}$ and ${\ensuremath{\tau}}_{\ensuremath{\delta}\ensuremath{\mu}\ensuremath{\delta}\ensuremath{\mu}}^{A}$ characterizing the slowing down of the order-parameter correlation and autocorrelation functions, respectively; ${\ensuremath{\tau}}_{\ensuremath{\delta}\mathcal{H}\ensuremath{\delta}\mathcal{H}}$ and ${\ensuremath{\tau}}_{\ensuremath{\delta}\mathcal{H}\ensuremath{\delta}\mathcal{H}}^{A}$, characterizing the slowing down of the energy correlation and autocorrelation functions; and finally ${\ensuremath{\tau}}_{\ensuremath{\delta}\ensuremath{\mu}\ensuremath{\delta}\mathcal{H}}$, characterizing the cross-correlation function. We give estimates for the associated exponents ${\ensuremath{\Delta}}_{\ensuremath{\delta}\ensuremath{\mu}}^{\ensuremath{\Delta}T}\ensuremath{\approx}{\ensuremath{\Delta}}_{\ensuremath{\delta}\ensuremath{\mu}\ensuremath{\delta}\ensuremath{\mu}}\ensuremath{\approx}{\ensuremath{\Delta}}_{\ensuremath{\delta}\mathcal{H}\ensuremath{\delta}\mathcal{H}}\ensuremath{\approx}{\ensuremath{\Delta}}_{\ensuremath{\delta}\ensuremath{\mu}\ensuremath{\delta}\mathcal{H}}\ensuremath{\approx}1.90\ifmmode\pm\else\textpm\fi{}0.10$, and ${\ensuremath{\Delta}}_{\ensuremath{\delta}\ensuremath{\mu}\ensuremath{\delta}\ensuremath{\mu}}^{A}\ensuremath{\approx}1.60\ifmmode\pm\else\textpm\fi{}0.10$, ${\ensuremath{\Delta}}_{\ensuremath{\delta}\ensuremath{\mu}\ensuremath{\delta}\mathcal{H}}^{A}\ensuremath{\approx}0.95\ifmmode\pm\else\textpm\fi{}0.10$, ${\ensuremath{\Delta}}_{\ensuremath{\delta}\mathcal{H}\ensuremath{\delta}\mathcal{H}}^{A}\ensuremath{\approx}0$, which are consistent with the dynamic scaling hypothesis and with exact inequalities. A detailed comparison with recent high-temperature-expansion estimates is performed, and the reliability of the Monte Carlo results is carefully analyzed.
For various Ising models two approaches are discussed, one is that of simulating lattices, also called gauging on exact equations, the other is that of calculating analytical expressions for the boundary free energy of Ising lattices. The first approach allows to conjecture a solution for some Ising models, that have sofar not been solved, once some exact partial result for the problem is known. The second approach aims at furnishing such a partial result in the form of a condition for the critical temperature. An example of such a result was recently given for the 2D Ising square lattice with nearest and next-nearest-neighbor interactions. The critical line that separates the ordered (ferromagnetic) phase from the disordered (paramagnetic) phase showed good agreement in the moderate and strong nearest neighbor coupling limit with several results obtained by Monte Carlo, transfer matrix and series expansion results. We extend the discussion of the critical line, finding an excellent fit, now also in other points, like the Padé point, as well as cusp behavior at the Onsager point where the lattice decouples into two 2D square lattices with only nearest-neighbor interaction. Combination of this result with a geometrical argument in the simulation approach leads to a critical exponent 2−2≈0.5858,2-\sqrt{2} \approx 0.5858,2−2​≈0.5858, comparable to the exponent 4/7≈0.57144/7 \approx 0.57144/7≈0.5714 found from renormalization arguments.
We report the results of a Monte Carlo investigation of the (equilibrium) time-displaced correlation functions for the magnetization and energy of a simple cubic Ising model as a function of time, temperature, and lattice size. The simulations were carried out on a CDC CYBER 205 supercomputer employing a high-speed, vectorized multispin coding program and using a total of 5\ifmmode\times\else\texttimes\fi{}1012{10}^{12}1012 Monte Carlo spin-flip trials. We used L\ifmmode\times\else\texttimes\fi{}L\ifmmode\times\else\texttimes\fi{}L lattices with periodic boundary conditions and L as large as 96. The short-time and long-time behaviors of the correlation functions are analyzed by fits to a sum of exponential decays, and the critical exponent z for the largest relaxation time is extracted using a finite-size-scaling analysis. Our estimate z=2.04\ifmmode\pm\else\textpm\fi{}0.03 resolves an intriguing contradiction in the literature; it satisfies the theoretical lower bound and is in agreement with the prediction obtained by \ensuremath{\epsilon} expansion. We also consider various small systematic errors that typically occur in the analysis of relaxation functions and show how they can lead to spurious results if sufficient care is not exercised.