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D. P. Landau

Publications and source records attributed to D. P. Landau.

At least 19 recordsLinked to original sources
arXiv2019

Finite size scaling for a first order transition where a continuous symmetry is broken: The spin-flop transition in the 3D XXZ Heisenberg antiferromagnet

Finite size scaling for a first order phase transition where a continuous symmetry is broken is developed using an approximation of Gaussian probability distributions with a phenomenological "degeneracy" factor included. Predictions are compared with data from Monte Carlo simulations of the three-dimensional, XXZ Heisenberg antiferromagnet in a field in order to study the finite size behavior on a $L \times L \times L$ simple cubic lattice for the first order "spin-flop" transition between the Ising-like antiferromagnetic state and the canted, XY-like state. Our theory predicts that for large linear dimension $L$ the field dependence of all moments of the order parameters as well as the fourth-order cumulants exhibit universal intersections. Corrections to leading order should scale as the inverse volume. The values of these intersections at the spin-flop transition point can be expressed in terms of a factor $q$ that characterizes the relative degeneracy of the ordered phases. Our theory yields $q=π$, and we present numerical evidence that is compatible with this prediction. The agreement between the theory and simulation implies a heretofore unknown universality can be invoked for first order phase transitions.

physics.comp-ph↗
arXiv2010

Square Lattice Gases with Two- and Three-body Interactions Revisited

Monte Carlo simulations have been used to study the phase diagrams for square Ising-lattice gas models with two-body and three-body interactions for values of interaction parameters in a range that has not been previously considered. We find unexpected qualitative differences as compared with predictions made on general grounds.

cond-mat.stat-mech↗
arXiv2009

Phase diagram and critical behavior of the square-lattice Ising model with competing nearest- and next-nearest-neighbor interactions

Using the parallel tempering algorithm and GPU accelerated techniques, we have performed large-scale Monte Carlo simulations of the Ising model on a square lattice with antiferromagnetic (repulsive) nearest-neighbor(NN) and next-nearest-neighbor(NNN) interactions of the same strength and subject to a uniform magnetic field. Both transitions from the (2x1) and row-shifted (2x2) ordered phases to the paramagnetic phase are continuous. From our data analysis, reentrance behavior of the (2x1) critical line and a bicritical point which separates the two ordered phases at T=0 are confirmed. Based on the critical exponents we obtained along the phase boundary, Suzuki's weak universality seems to hold.

cond-mat.stat-mech↗
arXiv2008

Improving Wang-Landau sampling with adaptive windows

Wang-Landau sampling (WLS) of large systems requires dividing the energy range into "windows" and joining the results of simulations in each window. The resulting density of states (and associated thermodynamic functions) are shown to suffer from boundary effects in simulations of lattice polymers and the five-state Potts model. Here, we implement WLS using adaptive windows. Instead of defining fixed energy windows (or windows in the energy-magnetization plane for the Potts model), the boundary positions depend on the set of energy values on which the histogram is flat at a given stage of the simulation. Shifting the windows each time the modification factor f is reduced, we eliminate border effects that arise in simulations using fixed windows. Adaptive windows extend significantly the range of system sizes that may be studied reliably using WLS.

cond-mat.stat-mech↗
arXiv2007

Monte Carlo simulations of ${\rm Rb_2MnF_4}$, a classical Heisenberg antiferromagnet in two-dimensions with dipolar interaction

We study the phase diagram of a quasi-two dimensional magnetic system ${\rm Rb_2MnF_4}$ with Monte Carlo simulations of a classical Heisenberg spin Hamiltonian which includes the dipolar interactions between ${\rm Mn}^{2+}$ spins. Our simulations reveal an Ising-like antiferromagnetic phase at low magnetic fields and an XY phase at high magnetic fields. The boundary between Ising and XY phases is analyzed with a recently proposed finite size scaling technique and found to be consistent with a bicritical point at T=0. We discuss the computational techniques used to handle the weak dipolar interaction and the difference between our phase diagram and the experimental results.

cond-mat.stat-mech↗
arXiv2006

Hidden zero-temperature bicritical point in the two-dimensional anisotropic Heisenberg model: Monte Carlo simulations and proper finite-size scaling

By considering the appropriate finite-size effect, we explain the connection between Monte Carlo simulations of two-dimensional anisotropic Heisenberg antiferromagnet in a field and the early renormalization group calculation for the bicritical point in $2+ε$ dimensions. We found that the long length scale physics of the Monte Carlo simulations is indeed captured by the anisotropic nonlinear $σ$ model. Our Monte Carlo data and analysis confirm that the bicritical point in two dimensions is Heisenberg-like and occurs at T=0, therefore the uncertainty in the phase diagram of this model is removed.

cond-mat.stat-mech↗
arXiv2006

Monte Carlo Simulations of Ultrathin Magnetic Dots

In this work we study the thermodynamic properties of ultrathin ferromagnetic dots using Monte Carlo simulations. We investigate the vortex density as a function of the temperature and the vortex structure in monolayer dots with perpendicular anisotropy and long-range dipole interaction. The interplay between these two terms in the hamiltonian leads to an interesting behavior of the thermodynamic quantities as well as the vortex density.

physics.comp-ph↗
arXiv2006

Finite-temperature properties of quasi-2D Bose-Einstein condensates

Using the finite-temperature path integral Monte Carlo method, we investigate dilute, trapped Bose gases in a quasi-two dimensional geometry. The quantum particles have short-range, s-wave interactions described by a hard-sphere potential whose core radius equals its corresponding scattering length. The effect of both the temperature and the interparticle interaction on the equilibrium properties such as the total energy, the density profile, and the superfluid fraction is discussed. We compare our accurate results with both the semi-classical approximation and the exact results of an ideal Bose gas. Our results show that for repulsive interactions, (i) the minimum value of the aspect ratio, where the system starts to behave quasi-two dimensionally, increases as the two-body interaction strength increases, (ii) the superfluid fraction for a quasi-2D Bose gas is distinctly different from that for both a quasi-1D Bose gas and a true 3D system, i.e., the superfluid fraction for a quasi-2D Bose gas decreases faster than that for a quasi-1D system and a true 3D system with increasing temperature, and shows a stronger dependence on the interaction strength, (iii) the superfluid fraction for a quasi-2D Bose gas lies well below the values calculated from the semi-classical approximation, and (iv) the Kosterlitz-Thouless transition temperature decreases as the strength of the interaction increases.

cond-mat.stat-mech↗
arXiv2005

Monte Carlo simulations of ${\rm Ni Fe_2O_4}$ Nanoparticles

We use Monte Carlo simulations to study ${\rm Ni Fe_2O_4}$ nanoparticles. Finite size and surface effects differentiate them from their bulk counterparts. A continuous version of the Wang-Landau algorithm is used to calculate the joint density of states $g(M_z, E)$ efficiently. From $g(M_z, E)$, we obtain the Bragg-Williams free energy of the particle, and other physical quantities. The hysteresis is observed when the nanoparticles have both surface disorder and surface anisotropy. We found that the finite coercivity is the result of interplay between surface disorder and surface anisotropy. If the surface disorder is absent or the surface anisotropy is relatively weak, the nanoparticles often exhibit superparamagnetism.

cond-mat.stat-mech↗
arXiv2005

Bose-Einstein condensation of trapped atoms with dipole interactions

The path integral Monte Carlo method is used to simulate dilute trapped Bose gases and to investigate the equilibrium properties at finite temperatures. The quantum particles have a long-range dipole-dipole interaction and a short-range s-wave interaction. Using an anisotropic pseudopotential for the long-range dipolar interaction and a hard-sphere potential for the short-range s-wave interaction, we calculate the energetics and structural properties as a function of temperature and the number of particles. Also, in order to determine the effects of dipole-dipole forces and the influence of the trapping field on the dipolar condensate, we use two cylindrically symmetric harmonic confinements (a cigar-shaped trap and a disk-shaped trap). We find that the net effect of dipole-dipole interactions is governed by the trapping geometry. For a cigar-shaped trap, the net contribution of dipolar interactions is attractive and the shrinking of the density profiles is observed. For a disk-shaped trap, the net effect of long-range dipolar forces is repulsive and the density profiles expand.

cond-mat.stat-mech↗
arXiv2005

Wang-Landau algorithm for continuous models and joint density of states

We present modified Wang-Landau algorithm for models with continuous degrees of freedom. We demonstrate this algorithm with the calculation of the joint density of states $g(M,E)$ of ferromagnet Heisenberg models. The joint density of states contains more information than the density of states of a single variable--energy, but is also much more time-consuming to calculate. We discuss the strategies to perform this calculation efficiently for models with several thousand degrees of freedom, much larger than other continuous models studied previously with the Wang-Landau algorithm.

cond-mat.stat-mech↗
arXiv2005

Scaling of the thermal resistivity of $^4$He in restricted geometries

The thermal resistivity and its scaling function in quasi-2D $^4$He systems are studied by Monte Carlo and spin-dynamics simulation. We use the classical 3D XY model on $L\times L\times H$ lattices with $L\gg H$, applying open boundary condition along the $H$ direction and periodic boundary conditions along the $L$ directions. A hybrid Monte Carlo algorithm is adopted to efficiently deal with the critical slowing down and to produce initial states for time integration. Fourth-order Suzuki-Trotter decomposition method of exponential operators is used to solve numerically the coupled equations of motion for each spin. The thermal conductivity is calculated by a dynamic current-current correlation function. Our results show the validity of the finite-size scaling theory, and the calculated scaling function agrees well with the available experimental results for slabs using the temperature scale and the thermal resistivity scale as free fitting parameters.

cond-mat.other↗
arXiv2005

Convergence and Refinement of the Wang-Landau Algorithm

Recently, Wang and Landau proposed a new random walk algorithm that can be very efficiently applied to many problems. Subsequently, there has been numerous studies on the algorithm itself and many proposals for improvements were put forward. However, fundamental questions such as what determines the rate of convergence has not been answered. To understand the mechanism behind the Wang-Landau method, we did an error analysis and found that a steady state is reached where the fluctuations in the accumulated energy histogram saturate at values proportional to $[\log(f)]^{-1/2}$. This value is closely related to the error corrections to the Wang-Landau method. We also study the rate of convergence using different "tuning" parameters in the algorithm.

cond-mat.stat-mech↗
arXiv2005

Spin waves in paramagnetic BCC iron: spin dynamics simulations

Large scale computer simulations are used to elucidate a longstanding controversy regarding the existence, or otherwise, of spin waves in paramagnetic BCC iron. Spin dynamics simulations of the dynamic structure factor of a Heisenberg model of Fe with first principles interactions reveal that well defined peaks persist far above Curie temperature T_c. At large wave vectors these peaks can be ascribed to propagating spin waves, at small wave vectors the peaks correspond to over-damped spin waves. Paradoxically, spin wave excitations exist despite only limited magnetic short-range order at and above T_c.

cond-mat.mtrl-sci↗
arXiv2004

Critical behavior of the three-dimensional compressible Ising antiferroma gnet at constant volume: a Monte Carlo study

Extensive Monte Carlo simulations in the semi-grand-canonical ensemble are used to study the critical behavior of a three-dimensional compressible Ising model with antiferromagnetic interactions under constant volume conditions. Elastic forces between spins are introduced by the Stillinger-Weber potential and energy parameters are chosen in such a way that antiparallel spin ordering is favored, analogous to the antiferromagnetic coupling in the rigid Ising Hamiltonian. All the quantities analyzed strongly indicate that the system remains in the universality class of the standard (rigid) three-dimensional Ising model, in contrast with theoretical predictions.

cond-mat.stat-mech↗
arXiv2004

Driven Diffusive Systems: How Steady States Depend on Dynamics

In contrast to equilibrium systems, non-equilibrium steady states depend explicitly on the underlying dynamics. Using Monte Carlo simulations with Metropolis, Glauber and heat bath rates, we illustrate this expectation for an Ising lattice gas, driven far from equilibrium by an `electric' field. While heat bath and Glauber rates generate essentially identical data for structure factors and two-point correlations, Metropolis rates give noticeably weaker correlations, as if the `effective' temperature were higher in the latter case. We also measure energy histograms and define a simple ratio which is exactly known and closely related to the Boltzmann factor for the equilibrium case. For the driven system, the ratio probes a thermodynamic derivative which is found to be dependent on dynamics.

cond-mat.stat-mech↗
arXiv2004

Bose-Einstein Condensation Temperature of a Homogeneous Weakly Interacting Bose Gas : PIMC study

Using a finite-temperature Path Integral Monte Carlo simulation (PIMC) method and finite-size scaling, we have investigated the interaction-induced shift of the phase transition temperature for Bose-Einstein condensation of homogeneous weakly interacting Bose gases in three dimensions, which is given by a proposed analytical expression $T_{c} = T_{c}^{0}\{1 + c_{1}an^{1/3}+[c'_{2}\ln(an^{1/3})+c''_{2}]a^{2}n^{2/3} +O(a^{3}n)\}$, where $T_{c}^{0}$ is the critical temperature for an ideal gas, $a$ is the s-wave scattering length, and $n$ is the number density. We have used smaller number densities and more time slices than in the previous PIMC simulations [Gruter {\it et al.}, Phys. Rev. Lett. {\bf 79}, 3549 (1997)] in order to understand the difference in the value of the coefficient $c_{1}$ between their results and the (apparently) other reliable results in the literature. Our results show that $\{(T_{c}-T_{c}^{0})/T_{c}^{0}\}/(an^{1/3})$ depends strongly on the interaction strength $an^{1/3}$ while the previous PIMC results are considerably flatter and smaller than our results. We obtain $c_{1}$ = 1.32 $\pm$ 0.14, in agreement with results from recent Monte Carlo methods of three-dimensional O(2) scalar $ϕ^{4}$ field theory and variational perturbation theory.

cond-mat.stat-mech↗