Three-dimensional Ising Model Research Articles

Nonequilibrium critical behavior of model statistical systems and methods for the description of its features

This paper reviews features in critical behavior of far-from-equilibrium macroscopic systems and presents current methods of describing them by referring to some model statistical systems such as the three-dimensional Ising model and the two-dimensional XY model. The paper examines the critical relaxation of homogeneous and structurally disordered systems subjected to abnormally strong fluctuation effects involved in ordering processes in solids at second-order phase transitions. Interest in such systems is due to the aging properties and fluctuation–dissipation theorem violations predicted for and observed in systems slowly evolving from a nonequilibrium initial state. It is shown that these features of nonequilibrium behavior show up in the magnetic properties of magnetic superstructures consisting of alternating nanoscale-thick magnetic and nonmagnetic layers and can be observed not only near the film’s critical ferromagnetic ordering temperature Tc, but also over the wide temperature range T ⩽ Tc.

Interface tension in the improved Blume-Capel model.

We study interfaces with periodic boundary conditions in the low-temperature phase of the improved Blume-Capel model on the simple cubic lattice. The interface free energy is defined by the difference of the free energy of a system with antiperiodic boundary conditions in one of the directions and that of a system with periodic boundary conditions in all directions. It is obtained by integration of differences of the corresponding internal energies over the inverse temperature. These differences can be computed efficiently by using a variance reduced estimator that is based on the exchange cluster algorithm. The interface tension is obtained from the interface free energy by using predictions based on effective interface models. By using our numerical results for the interface tension σ and the correlation length ξ obtained in previous work, we determine the universal amplitude ratios R_{2nd,+}=σ_{0}f_{2nd,+}^{2}=0.3863(6),R_{2nd,-}=σ_{0}f_{2nd,-}^{2}=0.1028(1), and R_{exp,-}=σ_{0}f_{exp,-}^{2}=0.1077(3). Our results are consistent with those obtained previously for the three-dimensional Ising model, confirming the universality hypothesis.

Phase diagrams and magnetic properties of CaCu3Fe2Os2O12 quadruple perovskite: Monte Carlo study

In this paper, a Monte Carlo Simulation (MCS) has been used to study the quadruple perovskite oxide CaCu3Fe2Os2O12. The system has been conceived as a mixture of atoms with the magnetic moments Cu (±1/2), Fe (±5/2, ±3/2, ±1/2) and Os (±3/2, ±1/2). Phase diagrams depending on reduced exchange couplings and reduced crystal fields have been established. A stable ferromagnetic phase at the ground state has been found. Investigation of magnetic properties has been focused on the finite size analysis of magnetization and magnetic susceptibility according to reduced temperatures. Critical temperature has been calculated through simulation and the compound has been found to belong in the three-dimensional Ising model universality class.

Calculation of thermodynamic properties of SF6 including the critical region. Combined thermal equation of state with a small number of parameters

A new unified combined equation of the state of liquid, gas, and fluid with a small number of adjustable constants is considered. Using this equation, tables of sulfur hexafluoride SF6 thermodynamic properties are compiled and proposed as standard reference data. The equation of state has the form of an explicit dependence of p = p(ρ, T) and does the following: transfers the thermal and caloric properties of SF6 in the regular component of the thermodynamic surface with the accuracy of the experiment; includes critical exponents β, α, and γ, taken in agreement with the three-dimensional Ising model; and corresponds to the relations of thermodynamics and the scale theory for properties in the critical region. The adjustable constants are obtained by approximating the p,ρ,T-data of SF6 using a combined equation of state in the ranges of 224 ≤ T ≤ 623 K, 0.1 ≤ p ≤ 30 MPa, and 8 ≤ ρ ≤ 1842 kg/m3. It includes a new regular component for approximating p,ρ,T-data in the liquid and gas regions of states outside the critical region, four of the 13 constants that are determined by the conditions at the critical and triple points, the singular component that is a scale equation (six constants) in explicit form for the critical region, and a new crossover function for combining these equations. The total number of system-dependent constants is 21, including parameters of the critical point. The root-mean-square error in the description of p,ρ,T-data of SF6 by pressure is 1.05% in the entire range of gas and liquid states; the average absolute deviation is 0.51%.

Calculation of thermodynamic properties of SF6 including the critical region. Thermal functions and speed of sound

Specific heats C v and C p, entropy S, enthalpy H, and speed of sound W have been calculated using a new thermal equation of state with a small number of variable constants, which includes regular and scale contributions with a new transition function. The calculation results correspond to the accuracy level of the modern reference equations of state with a large number of determined parameters in the regular behavioral region of SF6 properties; in the critical region, these results make it possible to supplement the existing reference data with the related tables, taking into account the scaling-theory advances. The experimental and tabular data on C v, C p, S, H, and W have not been used to determine the constants of the calculation equations (except for isochoric specific heat, C v, in the ideal-gas state). These data have been applied only for comparison of the calculated values with the experimental and tabular values. To calculate the behavior of thermal properties in the critical region, universal critical indices α, β, and γ have been used according to the threedimensional Ising model. The mean error in describing thermal properties of SF6 does not exceed the error of the existing experimental data. The calculated values coincide with the modern reference data in the regular region in the entire range of gas and liquid states. The discrepancies in the critical region are due to the application of the scale equation of state (in contrast to the regular equations used previously in this region for composing reference tables).

An Ising model for metal-organic frameworks.

We present a three-dimensional Ising model where lines of equal spins are frozen such that they form an ordered framework structure. The frame spins impose an external field on the rest of the spins (active spins). We demonstrate that this "porous Ising model" can be seen as a minimal model for condensation transitions of gas molecules in metal-organic frameworks. Using Monte Carlo simulation techniques, we compare the phase behavior of a porous Ising model with that of a particle-based model for the condensation of methane (CH4) in the isoreticular metal-organic framework IRMOF-16. For both models, we find a line of first-order phase transitions that end in a critical point. We show that the critical behavior in both cases belongs to the 3D Ising universality class, in contrast to other phase transitions in confinement such as capillary condensation.

Aging in the three-dimensional random-field Ising model.

We studied the nonequilibrium aging behavior of the random-field Ising model in three dimensions for various values of the disorder strength. This allowed us to investigate how the aging behavior changes across the ferromagnetic-paramagnetic phase transition. We investigated a large system size of N=256^{3} spins and up to 10^{8} Monte Carlo sweeps. To reach these necessary long simulation times, we employed an implementation running on Intel Xeon Phi coprocessors, reaching single-spin-flip times as short as 6ps. We measured typical correlation functions in space and time to extract a growing length scale and corresponding exponents.

A study of the critical properties of the Ising model on body-centered cubic lattice taking into account the interaction of next behind nearest neighbors

The replica Monte Carlo method has been used to investigate the critical behavior of a threedimensional antiferromagnetic Ising model on a body-centered cubic lattice, taking into account interactions of the adjacent behind neighbors. Investigations are carried out for the ratios of the values of exchange interactions behind the nearest and next nearest neighbors k = J 2/J 1 in the range of k ∈ [0.0, 1.0] with the step Δk = 0.1. In the framework of the theory of finite-dimensional scaling the static critical indices of heat capacity α, susceptibility γ, of the order parameter β, correlation radius ν, and also the Fisher index η are calculated. It is shown that the universality class of the critical behavior of this model is kept in the interval of k ∈ [0.0, 0.6]. It is established that a nonuniversal critical behavior is observed in the range k ∈ [0.8, 1.0].

Effective potential of the three-dimensional Ising model: The pseudo-ϵ expansion study

The ratios R2k of renormalized coupling constants g2k that enter the effective potential and small-field equation of state acquire the universal values at criticality. They are calculated for the three-dimensional scalar λϕ4 field theory (3D Ising model) within the pseudo-ϵ expansion approach. Pseudo-ϵ expansions for the critical values of g6, g8, g10, R6=g6/g42, R8=g8/g43 and R10=g10/g44 originating from the five-loop renormalization group (RG) series are derived. Pseudo-ϵ expansions for the sextic coupling have rapidly diminishing coefficients, so addressing Padé approximants yields proper numerical results. Use of Padé–Borel–Leroy and conformal mapping resummation techniques further improves the accuracy leading to the values R6⁎=1.6488 and R6⁎=1.6490 which are in a brilliant agreement with the result of advanced lattice calculations. For the octic coupling the numerical structure of the pseudo-ϵ expansions is less favorable. Nevertheless, the conform-Borel resummation gives R8⁎=0.868, the number being close to the lattice estimate R8⁎=0.871 and compatible with the result of 3D RG analysis R8⁎=0.857. Pseudo-ϵ expansions for R10⁎ and g10⁎ are also found to have much smaller coefficients than those of the original RG series. They remain, however, fast growing and big enough to prevent obtaining fair numerical estimates.

Surprising convergence of the Monte Carlo renormalization group for the three-dimensional Ising model.

We present a surprisingly simple approach to high-accuracy calculations of the critical properties of the three-dimensional Ising model. The method uses a modified block-spin transformation with a tunable parameter to improve convergence in the Monte Carlo renormalization group. The block-spin parameter must be tuned differently for different exponents to produce optimal convergence.

Three-dimensional Ising model of polarity formation in molecular crystals

Polarity formation in a three-dimensional array of molecules is described as a symmetry breaking effect of a generalized Ising Hamiltonian. Geometrical constraints in conjunction with asymmetric multipole interactions are able to break the spin flip symmetry generating a non-vanishing average local polarization.

Investigation of probability theory on Ising models with different four-spin interactions

Based on probability theory, two types of three-dimensional Ising models with different four-spin interactions are studied. Firstly the partition function of the system is calculated by considering the local correlation of spins in a given configuration, and then the properties of the phase transition are quantitatively discussed with series expansion technique and numerical method. Meanwhile the rounding errors in this calculation is analyzed so that the possibly source of the error in the calculation based on the mean field theory is pointed out.

The nature of three dimensions: Non-local behavior in the three-dimensional (3D) Ising model

In this work, we first reveal the nature of three dimensions: the existence of non-local behavior. Taking the three-dimensional (3D) Ising model as an example, we analyze the transfer matrices as well as the partition function to discuss in details the origin of non-local behavior in three dimensions. We then point out that fail to deal with non-local behavior is one of the main disadvantages of several theoretical approaches (such as conventional low-temperature expansions, conventional high-temperature expansions, perturbative renormalization group and Monte Carlo methods, etc), all of which take local environments into account only. This work provides a deep understanding on the natural difference between 3D bulk materials and 2D materials, and shows that how to treat the non-local behavior and the interaction between spins along the third dimension is a key point for solving exactly the problems of the 3D systems with the nearest neighboring interactions. Finally, we will briefly review recent advance in the 3D Ising model and related topics.

A quantum simulation approach for a three-dimensional Ising spin model—Comparison to mean field theory

We use a recently developed quantum simulation approach to study the properties of a three-dimensional Ising model consisting of S = 1/2 quantum spins localized at the sites of a simple cubic lattice. We assume nearest-neighbor interaction between spins with an exchange interaction that can be either ferromagnetic or antiferromagnetic. It is found that the computational method quickly converges towards the expected equilibrium spin configurations. The resulting spontaneous magnetization curves corresponding to the two types of magnetic interactions under consideration were found to be almost identical to the ones obtained via quantum mean field theory at all temperatures. The derived total energies, total free energies, magnetic entropies and specific heats per mole of spins show no sizeable differences from known theoretical values. Furthermore, the results of the simulations for two different 3D Ising systems containing 4×4×4 and 20×20×20 spins localized at the sites of a simple cubic lattice were found to be almost identical to each other. This finding suggests that the self-consistent algorithm approach of the current simulation method allows one to obtain the physical bulk properties of a large magnetic system by relying on simulations of a much smaller spin system sample. Therefore, the method presently considered appears to be not only very accurate as gauged by comparison to mean field theory, but also able to greatly increase the speed of simulations.

Kinetics of ferromagnetic ordering in 3D Ising model: how far do we understand the case of a zero temperature quench?

We study phase ordering dynamics in the three-dimensional nearest-neighbor Ising model, following rapid quenches from infinite to zero temperature. Results on various aspects, viz., domain growth, persistence, aging and pattern, have been obtained via the Glauber Monte Carlo simulations of the model on simple cubic lattice. These are analyzed via state-of-the-art methods, including the finite-size scaling, and compared with those for quenches to a temperature above the roughening transition. Each of these properties exhibit remarkably different behavior at the above mentioned final temperatures. Such a temperature dependence is absent in the two-dimensional case for which there is no roughening transition.

On the permanents of circulant and degenerate Schur matrices

We communicate three formulas for the permanents of degenerate Schur and circulant matrices. These combinatorial and integral formulas are intended for the analytical and asymptotic evaluation of the permanents as well as for the solution of three-dimensional Ising model. The paper's goal is to draw attention to the open fundamental problem of finding the permanents' asymptotics. A solution to this problem would be tremendously important for physics of many-body systems and critical phenomena, as well as for quantum field theory.

Structural characteristics of a three-dimensional Ising-like system in the critical region

An analytic technique for calculating the correlation function and correlation radius of systems belonging to the universality class of the three-dimensional Ising model is elaborated within the collective variables (CV) method. The calculations of these nonuniversal characteristics are performed for the temperatures [Formula: see text], [Formula: see text] and [Formula: see text] ([Formula: see text] is the phase transition temperature) on the microscopic level in the approximation of the quartic distribution for modes of spin moment density oscillations (the [Formula: see text] model). Proceeding from the expression for the Fourier transform of the correlation function, we have also obtained the susceptibility of the system. The correction to scaling and the potential averaging correction are taken into account in our calculations.

Universal Off-Equilibrium Scaling of Critical Cumulants in the QCD Phase Diagram.

Exploiting the universality between the QCD critical point and the three-dimensional Ising model, closed form expressions derived for nonequilibrium critical cumulants on the crossover side of the critical point reveal that they can differ in both magnitude and sign from equilibrium expectations. We demonstrate here that key elements of the Kibble-Zurek framework of nonequilibrium phase transitions can be employed to describe the dynamics of these critical cumulants. Our results suggest that observables sensitive to critical dynamics in heavy-ion collisions should be expressible as universal scaling functions, thereby providing powerful model-independent guidance in searches for the QCD critical point.

Spin liquid and quantum phase transition without symmetry breaking in a frustrated three-dimensional Ising model

We show that the highly frustrated transverse-field Ising model on the three-dimensional pyrochlore lattice realizes a first-order phase transition without symmetry breaking between the low-field Coulomb quantum spin liquid and the high-field polarized phase. The quantum phase transition is located quantitively by comparing low- and high-field series expansions. Furthermore, the intriguing properties of the elementary excitations in the polarized phase are investigated. We argue that this model can be achieved experimentally by applying mechanical strain to a classical spin ice material comprised of non-Kramers spins such as Ho_2Ti_2O_7. Taken together with our results, this provides a new experimental platform to study quantum spin liquid physics.

Computer simulation of the critical behavior of magnetic systems with competition between the short- and long-range interactions

Critical behavior of Ising ferromagnetic systems with the competition between short- and long-range interactions near the point of a second-order phase transition has been investigated. The effects of long-range interaction lead to the need to calculate the influence of next-nearest spins, which lie inside the sphere of a specific radius. The study was carried out for a power law of decreaseing the exchange integral with distance for a three-dimensional Ising model with a cubic lattice. A comparison with the results of a field-theoretical approach and data of real experiments has been carried out. It has been shown that the critical temperature grows linearly with an increase in the parameters of long-range interaction. Critical exponents have been calculated at different parameters of long-range interaction. It is shown that at small dimensions of a system it is the short-range interaction that exerts the dominant effect on the critical behavior of the system. With an increase in the linear dimension of the system, long-range forces begin to dominate.