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International Letters of Chemistry Physics and Astronomy

Ising Model Phase Transition Calculation for Ferro-Paramagnetic Lattice

Dhia`a K. Khudier, Nabeil Ibrahim Fawaz

Published Jun 29, 2013• 0 citations
Publisher

Abstract

The position of the phase transition in the two dimensional Ising model were determined byusing Monte Carlo simulation in a quadratic for area of variable length with external magnetic fieldswitched off (B = 0). The magnetization (M) per site (µ), magnetic susceptibility (x) of aferromagnetic and paramagnetic materials were calculated as a function of temperature T for(20×20,40×40,60×60), (80×80,120×120,200×200) spin lattice interactions. Nearest neighborinteraction is assumed (i.e. each spin has 4 neighbors); uses periodic boundary conditions. The Curietemperature (Tc = 2.27 J/kB ) is determined by measuring the magnetic susceptibility at which theferromagnetic and paramagnetic undergoes a phase change from order to disorder. There is thus aphase transition defined by the Curie temperature. The Monte Carlo method were used to check theseresults and to confirm the phase transition. The data are analyzed using the Curie-Weiss law whichcontains the Curie temperature as a parameter.

DOI
10.18052/www.scipress.com/ilcpa.15.201

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The position of the phase transition in the two dimensional Ising model were determined byusing Monte Carlo simulation in a quadratic for area of variable length with external magnetic fieldswitched off (B = 0). The magnetization (M) per site (µ), magnetic susceptibility (x) of aferromagnetic and paramagnetic materials were calculated as a function of temperature T for(20×20,40×40,60×60), (80×80,120×120,200×200) spin lattice interactions. Nearest neighborinteraction is assumed (i.e. each spin has 4 neighbors); uses periodic boundary conditions. The Curietemperature (Tc = 2.27 J/kB ) is determined by measuring the magnetic susceptibility at which theferromagnetic and paramagnetic undergoes a phase change from order to disorder. There is thus aphase transition defined by the Curie temperature. The Monte Carlo method were used to check theseresults and to confirm the phase transition. The data are analyzed using the Curie-Weiss law whichcontains the Curie temperature as a parameter.
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The location of the phase transition in the two dimensional Ising model were determined using Monte Carlo simulation with importance sampling. The magnetization persite ,energy per site , magnetic susceptibility , specific heat of a Ferromagnetic materials were calculated as a function of temperature for spin lattice interaction in zero and nonzero magnetic field . There is thus a phase transition defined by the Curie temperature. The Monte Carlo method was used to check the results and to confirm the phase transition . The internal interaction results were found to be consistent with what was expected. As a magnetic field is applied, the spins tend to align with it for ˃ and its effect is not significant at a very high temperature because of the thermal agitation. For ˂ , the alignment of the spins is possible only if the amplitude of the field is big enough.
Many problems in statistical physics resist exact solution once the number of interacting particles becomes large, and the two-dimensional Ising model is a classic case where numerical simulation fills that gap. This paper reports a Monte Carlo study of the two-dimensional Ising model using the Metropolis algorithm, undertaken to examine how magnetization, internal energy, specific heat, and magnetic susceptibility change with temperature. Spin configurations were generated on a square lattice under periodic boundary conditions, with each proposed spin flip accepted or rejected according to the Boltzmann weight of the resulting energy change. The simulation reproduces the expected transition from an ordered ferromagnetic state at low temperature to a disordered paramagnetic state at high temperature, with magnetization falling sharply and both specific heat and susceptibility peaking near a critical temperature of Tc ≈ 2.3–2.4 (in units of J/kB), consistent with the exact value obtained analytically for this system. These results confirm that the Metropolis algorithm, despite its simplicity, remains a dependable tool for locating second-order phase transitions and extracting thermodynamic quantities in lattice spin systems, and the same computational framework can be adapted to more elaborate models used in condensed matter and materials research.
Monte-Carlo simulation can be used to investigate cooperative phenomena, such as phase changes that occur when short-range atomic or molecular interactions give rise to long-range order. For example, some magnetic materials exhibit a paramagnetic phase at high temperatures, where the magnetic structure is disordered, but undergo a phase transition to a more ordered state at a lower temperature. This chapter uses a two-dimensional lattice Ising spin model, where spins on each site can be either up or down, to determine the critical temperature at which the phase transition occurs. In addition, it calculates the variation of energy, specific heat capacity, magnetisation and magnetic susceptibility with temperature. The chapter explains both the Gibbs and Metropolis sampling techniques, and lists a Python program that makes use of the latter.
We simulate the Ising Model with the Monte Carlo method and use the algorithms of Metropolis to update the distribution of spins. We found that, in the specific case of the three-dimensional Ising Model, methods of Metropolis are efficient. Studying the system near the point of phase transition, we observe that the magnetization goes to zero. In our simulations we analyzed the behavior of the magnetization and magnetic susceptibility to verify the phase transition in a paramagnetic to ferromagnetic material. The behavior of the magnetization and of the magnetic susceptibility as a function of the temperature suggest a phase transition around KT/J ≈ 4.5 and was evidenced the problem of finite size of the lattice to work with large lattice.
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.