Dipolar interactions and origin of spin ice in ising pyrochlore magnets

Recent experiments suggest that the Ising pyrochlore magnets Ho2Ti2O7 and Dy2Ti2O7 display qualitative properties of the nearest-neighbor "spin ice" model. We discuss the dipolar energy scale present in both these materials and discuss how spin-ice behavior can occur despite the presence of long-range dipolar interactions. We present results of numerical simulations and a mean field analysis of Ising pyrochlore systems. Based on our quantitative theory, we suggest that the spin-ice behavior in these systems is due to long-range dipolar interactions, and that the nearest-neighbor exchange in Dy2Ti2O7 is antiferromagnetic.     

Similarity-transformed chiral NN + 3N interactions for the ab initio description of 12C and 16O

We present first ab initio no-core shell model (NCSM) calculations using similarity renormalization group (SRG) transformed chiral two-nucleon (NN) plus three-nucleon (3N) interactions for nuclei throughout the p-shell, particularly (12)C and (16)O. By introducing an adaptive importance truncation for the NCSM model space and an efficient JT-coupling scheme for the 3N matrix elements, we are able to surpass previous NCSM studies including 3N interactions. We present ground and excited states in (12)C and (16)O for model spaces up to N(max) = 12 including full 3N interactions. We analyze the contributions of induced and initial 3N interactions and probe induced 4N terms through the sensitivity of the energies on the SRG flow parameter. Unlike for light p-shell nuclei, SRG-induced 4N contributions originating from the long-range two-pion terms of the chiral 3N interaction are sizable in (12)C and (16)O.     

Exact entanglement studies of strongly correlated systems: role of long-range interactions and symmetries of the system

We study the bipartite entanglement of strongly correlated systems using exact diagonalization techniques. In particular, we examine how the entanglement changes in the presence of long-range interactions by studying the Pariser-Parr-Pople model with long-range interactions. We compare the results for this model with those obtained for the Hubbard and Heisenberg models with short-range interactions. This study helps us to understand why the density matrix renormalization group (DMRG) technique is so successful even in the presence of long-range interactions. To better understand the behavior of long-range interactions and why the DMRG works well with it, we study the entanglement spectrum of the ground state and a few excited states of finite chains. We also investigate if the symmetry properties of a state vector have any significance in relation to its entanglement. Finally, we make an interesting observation on the entanglement profiles of different states (across the energy spectrum) in comparison with the corresponding profile of the density of states. We use isotropic chains and a molecule with non-Abelian symmetry for these numerical investigations.     

Investigating the nonequilibrium aspects of long-range Potts model: Refinement of critical temperatures and raw exponents

In this work, we analyze the q-state Potts model with long-range interactions through nonequilibrium scaling relations commonly used when studying short-range systems. We determine the critical temperature via an optimization method for short-time Monte Carlo simulations. The study takes into consideration two different boundary conditions and three different values of range parameters of the couplings. We also present estimates of some critical exponents, named as raw exponents for systems with long-range interactions, which confirm the non-universal character of the model. Finally, we provide some preliminary results addressing the relations between the raw exponents and the exponents obtained for systems with short-range interactions. The results assert that the methods employed in this work are suitable to study the considered model and can easily be adapted to other systems with long-range interactions.     

Microcanonical relation between continuous and discrete spin models

A relation between a class of stationary points of the energy landscape of continuous spin models on a lattice and the configurations of an Ising model defined on the same lattice suggests an approximate expression for the microcanonical density of states. Based on this approximation we conjecture that if a O(n) model with ferromagnetic interactions on a lattice has a phase transition, its critical energy density is equal to that of the n=1 case, i.e., an Ising system with the same interactions. The conjecture holds true in the case of long-range interactions. For nearest-neighbor interactions, numerical results are consistent with the conjecture for n=2 and n=3 in three dimensions. For n=2 in two dimensions (XY model) the conjecture yields a prediction for the critical energy of the Bere?inskij-Kosterlitz-Thouless transition, which would be equal to that of the two-dimensional Ising model. We discuss available numerical data in this respect.     

Self-organized criticality in the hysteresis of the Sherrington–Kirkpatrick model

We study hysteretic phenomena in random ferromagnets. We argue that the angle-dependent magnetostatic (dipolar) terms introduce frustration and long-range interactions in these systems. This makes it plausible that the Sherrington–Kirkpatrick model may be able to capture some of the relevant physics of these systems. We use scaling arguments, replica calculations and large scale numerical simulations to characterize the hysteresis of the zero temperature SK model. By constructing the distribution functions of the avalanche sizes, magnetization jumps and local fields, we conclude that the system exhibits self-organized criticality everywhere on the hysteresis loop.     

Monte Carlo simulation of confined fluids of polarizable particles: an efficient iterative treatment of the local field in slab geometry using Ewald summation

We propose a method for treating in Monte Carlo simulations the problem of the induced dipoles for polarizable particle fluids confined in slab geometry and subject to an external field. In order to compute the local field in a reasonable time, a partial update of the induced dipole moments is performed by introducing a cut-off distance, as in bulk systems. This strategy is then combined with a slab adapted 3D-Ewald summation for treating the long-range interactions between the induced dipoles. The method is illustrated by simulations of confined binary mixtures in the canonical and grand canonical ensembles.     

A model for anomalous directed percolation

We introduce a model for the spreading of epidemics by long-range infections and investigate the critical behaviour at the spreading transition. The model generalizes directed bond percolation and is characterized by a probability distribution for long-range infections which decays in d spatial dimensions as . Extensive numerical simulations are performed in order to determine the density exponent and the correlation length exponents and for various values of . We observe that these exponents vary continuously with , in agreement with recent field-theoretic predictions. We also study a model for pairwise annihilation of particles with algebraically distributed long-range interactions. Received: 4 September 1998 / Accepted: 22 September 1998     

Cluster analysis of an Ising-Preisach interacting particle system

The paper deals with the analysis of clusters' size in diverse magnetization states of a system of ferromagnetic particles organized in a perfect 2D array with all the anisotropy axes perpendicular to the plane (perpendicular medium) following the evolution of the clusters in correlation with various parameters like applied field or interaction strength. We present numerical simulations for a two-level Ising-type model each magnetic entity being characterized by a Stoner-Wohlfarth nonlinear energy barrier and a rectangular hysteresis loop (Ising-Preisach hysteron). In the simulations we took into account, the long-range inter-particle magnetostatic interactions in an attempt to mimic as accurately as possible with a still simple model, materials like Bit-Patterned media that are now considered as good candidates for the magnetic memories of the future.     

Long-range order at low temperatures in dipolar spin ice

It has recently been suggested that long-range magnetic dipolar interactions are responsible for spin ice behavior in the Ising pyrochlore magnets Dy2Ti2O7 and Ho2Ti2O7. We report here numerical results on the low temperature properties of the dipolar spin ice model, obtained via a new loop algorithm which greatly improves the dynamics at low temperature. We recover the previously reported missing entropy in this model, and find a first order transition to a long-range ordered phase with zero total magnetization at very low temperature. We discuss the relevance of these results to Dy2Ti2O7 and Ho2Ti2O7.     

Topological aspects of a long-range model

The mean field XY Hamiltonian, a suitable model for studying long-range interactions in extended systems, presents, amongst other interesting features, slow relaxation and formation of quasi-stationary (QS) states. It is now known that, along these QS trajectories, the system visits critical points (maxima) of the potential energy function, characterized by a large number of directions with marginal stability. This observation may provide an interpretation for the slow relaxation dynamics and the trapping in such trajectories. In this paper we present further results and discussion on topological aspects of the model.     

Giant SALR cluster reproduction,with implications for their chemical evolution

ABSTRACT

Particles with SALR (short-range attraction and long-range repulsion) interactions are common to many physical systems, especially biological and soft matter, yet their behaviour is still not completely understood. Using Monte Carlo simulations and a thermodynamic model, it is shown here that giant SALR clusters can grow and reproduce in these fluids. Giant cluster growth and reproduction should therefore be common to a wide range of natural and synthetic systems under suitable conditions. If, in addition, cluster fitness selection occurs then chemical evolution of giant SALR cluster might be observed in suitable systems.     

Modelling in relation to cation ordering

We review the methodology of using computer models to obtain quantitative information about cation ordering. Empirical interatomic potentials or ab initio electronic structure calculations are used to generate the energies for many configurations containing disordered arrangements of cations, and the parameters in model Hamiltonians can be determined from these energies. Monte Carlo simulations are then used to generate ensemble averages as functions of temperature or chemical composition. Analysis of the Monte Carlo ensembles directly yields the temperature dependence of long-range and short-range order, and thermodynamic quantities such as energy and heat capacity. Use of thermodynamic integration allows for the calculation of entropy and free energy. The methods are illustrated by examples showing long-range order/disorder phase transitions (feldspars), short-range order in solid solutions (pyrope-grossular), and non-convergent ordering (magnesium aluminate spinel); where comparisons with experimental data are possible, the model calculations are seen to give results that are reasonably accurate. The example in which ab initio electronic structure calculations are used show that it is now possible to extract accurate thermodynamic data for ordering processes using models that require no prior experimental data.     

Thermodynamic translational invariance in concurrent multiscale simulations of liquids

AdResS multi scale simulations of liquid systems allow for a free exchange of particles between regions, where their interactions are described by different models. The desired “model coexistence” is somewhat reminiscent of phase-coexistence. But while the latter describes heterogeneous systems with position-independent interactions, AdResS is meant to generate homogeneous systems with position-dependent interactions. Here we formulate the bulk equilibrium conditions for model coexistence, discuss the connection between the Hamiltonian H-AdResS scheme and widely used free energy methods based on the Kirkwood coupling parameter method of thermodynamic integration, and point out the relation between thermodynamic corrections in AdResS simulations and tail corrections for truncated long-range potentials. In particular, we use the analogy to derive expressions for the form of the correction profiles in narrow transition zones, which cannot be fully described by the local coupling parameter approximation. Finally, we illustrate how to treat transient mergers of small, diffusing all atom zones attached to reference particles in dynamic AdResS simulations without additional calibrations beyond the initial parameterization of the correction profile for individual all atom zones.     

Influence of dispersive long-range interactions on properties of vapour–liquid equilibria and interfaces of binary Lennard-Jones mixtures

The influence of dispersive long-range interactions on properties of vapour–liquid equilibria and interfaces of six binary Lennard-Jones (LJ) mixtures was studied by molecular dynamics (MD) simulations and density gradient theory (DGT). The mixtures were investigated at a constant temperature T, at which the low-boiling component, which is the same in all mixtures, is subcritical. Two different high-boiling components were considered: one is subcritical, the other is supercritical at T. Furthermore, the unlike dispersive interaction was varied such that mixtures with three different types of phase behaviour were obtained: ideal, low-boiling azeotrope, and high-boiling azeotrope. In a first series of simulations, the full LJ potential was used to describe these mixtures. To assess the influence of the long-range interactions, these results were compared with simulations carried out with the LJ truncated and shifted (LJTS) potential applying the corresponding states principle. The dispersive long-range interactions have a significant influence on the surface tension and the interfacial thickness of the studied mixtures, whereas the relative adsorption and the enrichment are hardly affected. Furthermore, the influence of the long-range interactions on Henry's law constants and the phase envelopes of the vapour–liquid equilibrium was investigated. The long-range interactions have practically no influence on the composition dependency of the investigated mixture properties.     

Dynamics and thermodynamics of a simple model similar to self-gravitating systems: the HMF model

We discuss the dynamics and thermodynamics of the Hamiltonian Mean Field model (HMF) which is a prototypical system with long-range interactions. The HMF model can be seen as the one Fourier component of a one-dimensional self-gravitating system. Interestingly, it exhibits many features of real self-gravitating systems (violent relaxation, persistence of metaequilibrium states, slow collisional dynamics, phase transitions,...) while avoiding complicated problems posed by the singularity of the gravitational potential at short distances and by the absence of a large-scale confinement. We stress the deep analogy between the HMF model and self-gravitating systems by developing a complete parallel between these two systems. This allows us to apply many technics introduced in plasma physics and astrophysics to a new problem and to see how the results depend on the dimension of space and on the form of the potential of interaction. This comparative study brings new light in the statistical mechanics of self-gravitating systems. We also mention simple astrophysical applications of the HMF model in relation with the formation of bars in spiral galaxies.     

Fast computation of many-particle hydrodynamic and electrostatic interactions in a confined geometry

An O(N) method is presented for calculation of hydrodynamic or electrostatic interactions between N point particles in a confined geometry. This approach splits point forces or sources into a local contribution for which rapidly decaying free-space analytical solutions to the Stokes or Poisson equations are used, and a global contribution whose effect is determined numerically using a fast iterative method. The scheme is applied to Brownian dynamics simulations of flowing confined polymer solutions, and the effects of concentration on hydrodynamically induced migration phenomena are illustrated.