Domain Wall Migration in 3-d in the Presence of Diffusing Impurities

A new three-dimensional simulation procedure was developed for domain wall (grain boundary, APB, magnetic, etc.) migration in the presence of diffusing impurities. The simulation is based upon a kinetic Monte Carlo algorithm and an extended Ising model, incorporating both conserved and non-conserved dynamics. The simulations show a dependence of the domain wall velocity on driving force which is very similar to that seen in 2-d and in qualitative agreement with experiment. That is, the presence of a low mobility regime at small driving force and an abrupt transition to a high mobility regime at larger forces, under some conditions, and a continuous, non-linear dependence of the velocity on the force in others. The main qualitative difference between the 2-d and 3-d simulation results is in how the domain wall roughness depends on driving force. The velocity-driving force relation is not consistent with classic continuum models, but may be described, in the high velocity regime, by a theory based upon a discrete version of these models.     

Grain Boundary Migration in Metals: Recent Developments

Current research on grain boundary migration in metals is reviewed. For individual grain boundaries the dependence of grain boundary migration on misorientation and impurity content are addressed. Impurity drag theory, extended to include the interaction of adsorbed impurities in the boundary, reasonably accounts quantitatively for the observed concentration dependence of grain boundary mobility. For the first time an experimental study of triple junction motion is presented. The kinetics are quantitatively discussed in terms of a triple junction mobility. Their impact on the kinetics of microstructure evolution during grain growth is outlined.     

A fast algorithm for the Cyber 205 to simulate the 3D Ising model

We describe a computer program that performs the Metropolis algorithm for the 3D Ising model at a peak speed of 98 million spin updates per second on a 2-pipe CDC Cyber 205. This speed is achieved using the special vector capabilities of the Cyber 205 and multispin coding techniques.     

Energy of Long-Lifetime Configurations in Zero-Temperature Dynamics

Using Monte Carlo method with zero-temperature dynamics, we investigate energy evolution of Ising spin configuration on a square lattice. The energies of some configurations exhibit long duration before those configurations reach the final state -- ground state or frozen stripe state. For ground-state dynamical realization, the duration occurs when the energy per spin is 4/L, where L is the lattice size. For stripe-state dynamical realization, the energy is slightly higher than 2/L when the duration appears in the last evolution stage. In addition, it is found that the average energy per spin in final state is approximately 2/3L.     

Monte Carlo technique for very large ising models

Rebbi's multispin coding technique is improved and applied to the kinetic Ising model with size 600*600*600. We give the central part of our computer program (for a CDC Cyber 76), which will be helpful also in a simulation of smaller systems, and describe the other tricks necessary to go to large lattices. The magnetizationM atT=1.4*T _c is found to decay asymptotically as exp(-t/2.90) ift is measured in Monte Carlo steps per spin, and M(t = 0) = 1 initially.     

Minor magnetization loops in two-dimensional dipolar Ising model

The two-dimensional dipolar Ising model is investigated for the relaxation and dynamics of minor magnetization loops. Monte Carlo simulations show that in a stripe phase an exponential decrease can be found for the magnetization maxima of the loops, M∼exp(−αN_l) where N_l is the number of loops. We discuss the limits of this behavior and its relation to the equilibrium phase diagram of the model.     

Critical dynamics of the three-dimensional Ising model: A Monte Carlo study

Extensive Monte Carlo simulations have been performed to analyze the dynamical behavior of the three-dimensional Ising model with local dynamics. We have studied the equilibrium correlation functions and the power spectral densities of odd and even observables. The exponential relaxation times have been calculated in the asymptotic one-exponential time region. We find that the critical exponentz=2.09 ±0.02 characterizes the algebraic divergence with lattice size for all observables. The influence of scaling corrections has been analyzed. We have determined integrated relaxation times as well. Their dynamical exponentz _int agrees withz for correlations of the magnetization and its absolute value, but it is different for energy correlations. We have applied a scaling method to analyze the behavior of the correlation functions. This method verifies excellent scaling behavior and yields a dynamical exponentz _scal which perfectly agrees withz.     

Grain Boundary Migration in Ceramics

During ceramic fabrication, densification processes compete with coarsening processes to determine the path of microstructural evolution. Grain growth is a key coarsening process. This paper examines grain boundary migration in ceramics, and discusses the effects of solutes, pores, and liquid phases on grain boundary migration rates. An effort is made to highlight work in the past decade that has contributed to and advanced our understanding of solute drag effects, pore-boundary interactions, and the role of liquid phases in grain growth and microstructural evolution. Anisotropy of the grain boundary mobility, and its role in the development of anisotropic (anisometric) microstructures is discussed as it is a central issue in recent efforts to produce ceramic materials with new combinations of properties and functionality.     

Interface motion in a two-dimensional Ising model with a field

We determine by Monte Carlo simulations the width of an interface between the stable phase and the metastable phase in a two-dimensional Ising model with a magnetic field, in the case of nonconversed order parameter (Glauber dynamics). At zero temperature, the width increases ast with–1/3, as predicted by earlier theories. As temperature increases, the value of the effective exponent that we measure decreases toward the value 1/4, which is the value in the absence of magnetic field.     

Phase transitions and thermodynamic properties of antiferromagnetic Ising model with next-nearest-neighbor interactions on the Kagomé lattice

We study phase transitions and thermodynamic properties in the two-dimensional antiferromagnetic Ising model with next-nearest-neighbor interaction on a Kagomé lattice by Monte Carlo simulations. A histogram data analysis shows that a second-order transition occurs in the model. From the analysis of obtained data, we can assume that next-nearest-neighbor ferromagnetic interactions in two-dimensional antiferromagnetic Ising model on a Kagomé lattice excite the occurrence of a second-order transition and unusual behavior of thermodynamic properties on the temperature dependence.     

Monte Carlo simulation of Ising models by multispin coding on a vector computer

Rebbi's efficient multispin coding algorithm for Ising models is combined with the use of the vector computer CDC Cyber 205. A speed of 21.2 million updates per second is reached. This is comparable to that obtained by special- purpose computers.     

Reconstruction of the finite size canonical ensemble from incomplete micro-canonical data

In this paper we discuss how partial knowledge of the density of states for a model can be used to give good approximations of the energy distributions in a given temperature range. From these distributions one can then obtain the statistical moments corresponding to e.g. the internal energy and the specific heat. These questions have gained interest apropos of several recent methods for estimating the density of states of spin models. As a worked example we finally apply these methods to the 3-state Potts model for cubic lattices of linear order up to 128. We give estimates of e.g. latent heat and critical temperature, as well as the micro-canonical properties of interest.      

A goldstone mode in the Kawasaki-Ising model

The hydrodynamic regime of superfluids is dominated by a Goldstone mode corresponding to a spontaneously brokenU(1) symmetry. In this article we map the Kawasaki-Ising model for a classical lattice gas into a quantum model for a superfluid and establish a connection between the normal density fluctuations of the first and the Goldstone mode of the second. The fact that the quantum model we obtain describes a superfluid derives from an inequality by Penrose and Onsager which gives a lower bound to the Bose-Einstein condensate density. Mathematically, the Goldstone mode can be described by means of a quantum extension of the local algebra of the Ising model. The classification of its irreducible representations requires an additionalU(1) phase factor and the correspondingU(1) gauge symmetry is spontaneously broken for all finite values of the temperature and of the density.     

Influence of field on frustrations in low-dimensional magnets

On the base of exact analytical solutions for maximum eigenvalue of Kramers–Wannier transfer matrix the phenomena of frustrations appearance and suppression of phase transition or, on the contrary, the phase transition appearance and suppression of frustrations are studied on the base of exact analytical solutions for 1D Ising model, 3-state, and 4-state standard Potts models with allowance for the interactions between nearest J and next-nearest neighbors J′, for 6-state and 8-state modified Potts models with allowance for the interaction between only nearest neighbors J. In all the models investigated we obtained exact numbers and values of frustrating fields depending, in particular, on mutual orientation of the field and spin directions.     

On the Swendsen-Wang dynamics. I. Exponential convergence to equilibrium

We present rigorous results on the exponential convergence to equilibrium for the Swendsen-Wang stochastic dynamics for thed-dimensional Ising ferromagnet with external magnetic fieldh in the thermodynamic limit. We consider various situations, mainly in the low-temperature regime, in which boundary conditions are homogeneous and parallel or opposite to the external field. In the latter case we relate directly the tunneling from the metastable phase to the stable one with the exponential convergence to equilibrium.     

Finite-size effects in surface tension. I. Fluctuating interfaces

We consider a two-dimensional Ising cylinder of circumferenceM and heightN, with a floating interface introduced by the appropriate boundary conditions. An exact analysis of the finite-size effects in surface tension is given and the scaling function for all temperatures is calculated. The results are compared with the Monte Carlo data of Mon and Jasnow.On leave from: Department of Theoretical Chemistry, Oxford University, Oxford, OX1 3UB, England.     

Fast vectorized algorithm for the Monte Carlo simulation of the random field Ising model

An algorithm for the simulation of the 3-dimensional random field Ising model with a binary distribution of the random fields is presented. It uses multi-spin coding and simulates 64 physically different systems simultaneously. On one processor of a Cray YMP it reaches a speed of 184 million spin updates per second. For smaller field strength we present a version of the algorithm that can perform 242 million spin updates per second on the same machine.     

Monte Carlo simulation of the compensation and critical behaviors of a ferrimagnetic core/shell nanoparticle Ising model

A Monte Carlo simulation has been used to study the magnetic properties and the critical behaviors of a single spherical nanoparticle, consisting of a ferromagnetic core of spins surrounded by a ferromagnetic shell of S=±1, 0 or , spins with antiferromagnetic interface coupling, located on a simple cubic lattice. A number of characteristic phenomena has been found. In particular, the effects of the shell coupling and the interface coupling on both the critical and compensation temperatures are investigated. We have found that, for appropriate values of the system parameters, two compensation temperatures may occur in the present system.     

A new multispin coding algorithm for Monte Carlo simulation of the Ising model

We present a new algorithm for Monte Carlo simulation of the Ising model. The usual serial architecture of a computer is exploited in a novel way, enabling parallel but independent calculations to be carried out on as many spins as there are bits in a computer word in each fundamental move. The algorithm enjoys a substantial increase in execution speed over more usual multispin coding algorithms. By its very nature, the algorithm constitutes a design for a special-purpose processor.