Microcanonical simulation of Ising systems

Numerical simulations of the microcanonical ensemble for Ising systems are described. We explain how to write very fast algorithms for such simulations, relate correlations measured in the microcanonical ensemble to those in the canonical ensemble and discuss criteria for convergence and ergodicity.     

Microcanonical analysis of a finite three-dimensional Ising system

All singularities which occur at phase transitions are smeared out in finite size systems. It is the purpose of this paper to show that this smearing is a characteristic of the canonical ensemble. It can be greatly reduced if the microcanonical ensemble is used. In order to demonstrate this the density of states of a three-dimensional 10×10×10 Ising system is determined numerically and is analysed in terms of a model entropy. The critical exponents and turn out to be not too far from the values which have been obtained by critical scaling.Dedicated to Prof. H. Wagner on the occasion of his 60th birthday     

Microcanonical simulation of nuclear disassembly

We formulate a model for the disassembly of a highly excited finite nuclear source into interacting nuclear fragments. Monte Carlo sampling of the exact microcanonical and canonical ensemble provides many-fragment configurations at the effective freeze-out stage. The effect of including the interaction between the fragments is significant and an elaboration of the model that allows for a nucleon vapor suggests the existence of a first-order phase transition.     

Microcanonical Phase Diagram of the BEG and Ising Models

The density of states of long-range Blume-Emery-Griffiths(BEG) and short-range Ising models are obtained by using Wang-Landau sampling with adaptive windows in energy and magnetization space.With accurate density of states,we are able to calculate the microcanonical specific heat of fixed magnetization introduced by Kastner et al.in the regions of positive and negative temperature.The microcanonical phase diagram of the Ising model shows a continuous phase transition at a negative temperature in energy and magnetization plane.However the phase diagram of the long-range model constructed by peaks of the microcanonical specific heat looks obviously different from the Ising chart.     

Microcanonical Phase Diagram of the BEG and Ising Models

The density of states of long-range Blume-Emery-Griffiths (BEG) and short-range Ising models are obtained by using Wang-Landau sampling with adaptive windows in energy and magnetization space. With accurate density of states, we are able to calculate the microcanonical specific heat of fixed magnetization introduced by Kastner et al. in the regions of positive and negative temperature. The microcanonical phase diagram of the Ising model shows a continuous phase transition at a negative temperature in energy and magnetization plane. However the phase diagram of the long-range model constructed by peaks of the microcanonical specific heat looks obviously different from the Ising chart.     

A renormalization-group study of an Ising spin-glass with annealed vacancies

Systems driven and characterized by fluctuations in density and magnetization can be realistically modeled using the Blume–Emery–Griffiths model; a spin-1 Ising model with bilinear, biquadratic, and crystal-field interactions. In this study, renormalization-group techniques are used on an exactly solvable system in which frustration is present due to competing ferromagnetic and antiferromagnetic interactions. Thus, this calculation models a spin-glass system with annealed vacancies. To determine the effects of these competing bilinear interactions, an exactly solvable frustrated hierarchical model has been constructed, similar to those introduced to study spin glasses [S.R. McKay, A.N. Berker, S. Kirkpatrick, Phys. Rev. Lett. 48 (1982) 767]. Phase diagrams have been calculated for a series of planes of constant biquadratic coupling while varying the temperature and concentration of annealed vacancies in the system. In addition, a phase diagram was produced for constant concentration of annealed vacancies as the biquadratic coupling (i.e. clustering bias) was varied. Each phase diagram reveals three qualitatively unique basins of attraction, each corresponding to a phase distinguished by a unique renormalization-group trajectory. The sink of each trajectory is interpreted to determine the nature of each phase: dense paramagnetic, dilute paramagnetic and spin-glass.     

Microcanonical scaling in small systems

A microcanonical finite-size scaling ansatz is discussed. It exploits the existence of a well-defined transition point for systems of finite size in the microcanonical ensemble. The best data collapse obtained for small systems yields values for the critical exponents in good agreement with other approaches. The exact location of the infinite system critical point is not needed when extracting critical exponents from the microcanonical finite-size scaling theory.     

Some remarks on pathologies of renormalization-group transformations for the Ising model

The results recently obtained by van Enter, Fernandez, and Sokal on non-Gibbsianness of the measurev =T _{b ,h} arising from the application of a single decimation transformationT _b , with spacingb, to the Gibbs measure _,h , of the Ising model, for suitably chosen large inverse temperature and nonzero external fieldh, are critically analyzed. In particular, we show that if, keeping fixed the same values of, h, andb, one iterates a sufficiently large number of timesn the transformationT _b , one obtains a new measurev = (T _b )_n,h which is Gibbsian and moreover very weakly coupled.     

Microcanonical mean-field thermodynamics of self-gravitating and rotating systems

We derive the global phase diagram of a self-gravitating N-body system enclosed in a finite three-dimensional spherical volume V as a function of total energy and angular momentum, employing a microcanonical mean-field approach. At low angular momenta (i.e., for slowly rotating systems) the known collapse from a gas cloud to a single dense cluster is recovered. At high angular momenta, instead, rotational symmetry can be spontaneously broken and rotationally asymmetric structures (double clusters) appear.     

Microcanonical approach to the simulation of first-order phase transitions

A simple microcanonical strategy for the simulation of first-order phase transitions is proposed. At variance with flat-histogram methods, there is no iterative parameters optimization nor long waits for tunneling between the ordered and the disordered phases. We test the method in the standard benchmark: the Q-states Potts model (Q=10 in two dimensions and Q=4 in D=3). We develop a cluster algorithm for this model, obtaining accurate results for systems with more than 10(6) spins.     

Computer simulation of the nonequilibrium critical behavior of disordered two-dimensional Ising systems

We report the results of a computer simulation of the critical relaxation of the magnetization in the two-dimensional Ising model with nonmagnetic impurity atoms frozen at the lattice sites. We assume a square lattice of dimension 400² with spin concentrationsp=1.0, 0.95, 0.9, 0.85, 0.8, 0.75, 0.7. The Monte Carlo and dynamic renormalization group methods are used to determine the dynamical critical indexz as a function ofp: z(p): z(1)=2.24±0.07,z(0.95)=2.24±0.06,z(0.85)=2.38±0.05,z(0.8)=2.51±0.06,z(0.75)=2.66±0.07,z(0.7)=2.88±0.06. It is shown thatz(p) obeys a singular scaling law of the formz=A | ln (p–p _c) |+B withA=0.56±0.07,B=1.62±0.07.Omsk State University. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 83–88, August, 1994.     

Real-space renormalization-group transformation for finite thickness ising systems

The real-space renormalization group transformation based on the cumulant expansion is modified for systems with free-surface boundary conditions. Free energies and heat capacities of ferromagnetic strips (n x ∞) and slabs (n x ∞ x ∞) are determined over a wide temperature range. The critical or pseudocritical behavior approaches the bulk limit as n → ∞ according to a simple power law, [T_c(n) ? T_c (∞)] ∞n^?λ it is verified that the shift exponent λ is equal to the reciprocal of the critical length exponent.     

A renormalization-group analysis of a spin-1 Ising ferromagnet with competing crystal-field and repulsive biquadratic interactions

Phase diagrams have been produced and critical exponents calculated for a Blume-Emery-Griffiths system with competing biquadratic and crystal-field interactions with uniform ferromagnetic bilinear interactions. This competition directly effects the clustering and density of nonmagnetic impurities. These results have been produced using renormalization-group methods with a hierarchical lattice. A series of planes of constant, repulsive biquadratic coupling have been probed while varying the temperature and concentration of annealed vacancies in the system. The sinks have been analyzed and interpreted, and critical exponents calculated for the higher order transitions.     

Microcanonical variational transition-state theory for reaction rates in dissipative systems

Upper bounds for the classical escape rate of a particle trapped in a metastable well and interacting with a dissipative medium are derived based on the periodic orbits of a reduced two-degree-of-freedom Hamiltonian involving the unstable normal mode and a collective bath mode. It is shown that even in what is usually thought of as the spatial diffusion limit the reactive flux can involve an energy diffusion term due to energy transfer from the dissipative media, in addition to the standard spatial diffusion term.     

Critical thermodynamics of two-dimensional systems in the five-loop renormalization-group approximation

The paper is devoted to the calculation of renormalization-group (RG) functions in the O(n)-symmetry two-dimensional model of the λ? ⁴ type in the five-loop approximation and to an analysis of the critical behavior of systems described by this model. Five-loop expansions for the β function and the critical indices are determined in bulk theory. They are summed up using the Padé-Borel and Padé-Borel-Le Roy methods, making it possible to optimize the summation procedure and to estimate the accuracy of the obtained numerical values. It is shown that in the Ising (n=1) case, as well as in other cases, the inclusion of the five-loop contribution to the β function displaces the coordinate of the Wilson fixed point only insignificantly, leaving it outside the interval formed by the results of computations on lattices; even “spreads” of the error in the renormalization group and lattice estimates do not overlap. This discrepancy is attributed to the effect of the nonanalytic com-ponent of the β function, which cannot be determined in perturbation theory. A computation of critical indices proves that, although the inclusion of the five-loop terms in the corresponding RG expansion slightly improves the concordance with the exact results, the nonanalytic contributions are apparently also significant in this case.     

Phase transitions in small systems: Microcanonical vs. canonical ensembles

We compare phase transition(-like) phenomena in small model systems for both microcanonical and canonical ensembles. The model systems correspond to a few classical (non-quantum) point particles confined in a one-dimensional box and interacting via Lennard-Jones-type pair potentials. By means of these simple examples it can be shown already that the microcanonical thermodynamic functions of a small system may exhibit rich oscillatory behavior and, in particular, singularities (non-analyticities) separating different microscopic phases. These microscopic phases may be identified as different microphysical dissociation states of the small system. The microscopic oscillations of microcanonical thermodynamic quantities (e.g., temperature, heat capacity, or pressure) should in principle be observable in suitably designed evaporation/dissociation experiments (which must realize the physical preconditions of the microcanonical ensemble). By contrast, singular phase transitions cannot occur, if a small system is embedded into an infinite heat bath (thermostat), corresponding to the canonical ensemble. For the simple model systems under consideration, it is nevertheless possible to identify a smooth canonical phase transition by studying the distribution of complex zeros of the canonical partition function.     

Compressed quantum simulation of the Ising model

Jozsa et al. [Proc. R. Soc. A 466, 809 2009)] have shown that a match gate circuit running on n qubits can be compressed to a universal quantum computation on log(n)+3 qubits. Here, we show how this compression can be employed to simulate the Ising interaction of a 1D chain consisting of n qubits using a universal quantum computer running on log(n) qubits. We demonstrate how the adiabatic evolution can be realized on this exponentially smaller system and how the magnetization, which displays a quantum phase transition, can be measured. This shows that the quantum phase transition of very large systems can be observed experimentally with current technology.