Study of the de Almeida-Thouless line using power-law diluted one-dimensional Ising spin glasses

We test for the existence of a spin-glass phase transition, the de Almeida-Thouless line, in an externally-applied (random) magnetic field by performing Monte Carlo simulations on a power-law diluted one-dimensional Ising spin glass for very large system sizes. We find that an Almeida-Thouless line only occurs in the mean field regime, which corresponds, for a short-range spin glass, to dimension d larger than 6.Comment: 4 pages, 2 figures, 1 tabl

Strengths and Weaknesses of Parallel Tempering

Parallel tempering, also known as replica exchange Monte Carlo, is studied in the context of two simple free energy landscapes. The first is a double well potential defined by two macrostates separated by a barrier. The second is a `golf course' potential defined by microstates having two possible energies with exponentially more high energy states than low energy states. The equilibration time for replica exchange is analyzed for both systems. For the double well system, parallel tempering with a number of replicas that scales as the square root of the barrier height yields exponential speedup of the equilibration time. On the other hand, replica exchange yields only marginal speed-up for the golf course system. For the double well system, the free energy difference between the two wells has a large effect on the equilibration time. Nearly degenerate wells equilibrate much more slowly than strongly asymmetric wells. It is proposed that this difference in equilibration time may lead to a bias in measuring overlaps in spin glasses. These examples illustrate the strengths and weaknesses of replica exchange and may serve as a guide for understanding and improving the method in various applications.Comment: 18 pages, 4 figures. v2: typos fixed and wording changes to improve clarit

On Pseudo-Hermitian Hamiltonians and Their Hermitian Counterparts

In the context of two particularly interesting non-Hermitian models in quantum mechanics we explore the relationship between the original Hamiltonian H and its Hermitian counterpart h, obtained from H by a similarity transformation, as pointed out by Mostafazadeh. In the first model, due to Swanson, h turns out to be just a scaled harmonic oscillator, which explains the form of its spectrum. However, the transformation is not unique, which also means that the observables of the original theory are not uniquely determined by H alone. The second model we consider is the original PT-invariant Hamiltonian, with potential V=igx^3. In this case the corresponding h, which we are only able to construct in perturbation theory, corresponds to a complicated velocity-dependent potential. We again explore the relationship between the canonical variables x and p and the observables X and P.Comment: 9 pages, no figure

Microcanonical versus Canonical Analysis of Protein Folding

The microcanonical analysis is shown to be a powerful tool to characterize the protein folding transition and to neatly distinguish between good and bad folders. An off-lattice model with parameter chosen to represent polymers of these two types is used to illustrate this approach. Both canonical and microcanonical ensembles are employed. The required calculations were performed using parallel tempering Monte Carlo simulations. The most revealing features of the folding transition are related to its first-order-like character, namely, the S-bend pattern in the caloric curve, which gives rise to negative microcanonical specific heats, and the bimodality of the energy distribution function at the transition temperatures. Models for a good folder are shown to be quite robust against perturbations in the interaction potential parameters.Comment: 4 pages, 4 figure

Entropic effects in large-scale Monte Carlo simulations

The efficiency of Monte Carlo samplers is dictated not only by energetic effects, such as large barriers, but also by entropic effects that are due to the sheer volume that is sampled. The latter effects appear in the form of an entropic mismatch or divergence between the direct and reverse trial moves. We provide lower and upper bounds for the average acceptance probability in terms of the Renyi divergence of order 1/2. We show that the asymptotic finitude of the entropic divergence is the necessary and sufficient condition for non-vanishing acceptance probabilities in the limit of large dimensions. Furthermore, we demonstrate that the upper bound is reasonably tight by showing that the exponent is asymptotically exact for systems made up of a large number of independent and identically distributed subsystems. For the last statement, we provide an alternative proof that relies on the reformulation of the acceptance probability as a large deviation problem. The reformulation also leads to a class of low-variance estimators for strongly asymmetric distributions. We show that the entropy divergence causes a decay in the average displacements with the number of dimensions n that are simultaneously updated. For systems that have a well-defined thermodynamic limit, the decay is demonstrated to be n^{-1/2} for random-walk Monte Carlo and n^{-1/6} for Smart Monte Carlo (SMC). Numerical simulations of the LJ_38 cluster show that SMC is virtually as efficient as the Markov chain implementation of the Gibbs sampler, which is normally utilized for Lennard-Jones clusters. An application of the entropic inequalities to the parallel tempering method demonstrates that the number of replicas increases as the square root of the heat capacity of the system.Comment: minor corrections; the best compromise for the value of the epsilon parameter in Eq. A9 is now shown to be log(2); 13 pages, 4 figures, to appear in PR

Effects of phase transitions in devices actuated by the electromagnetic vacuum force

We study the influence of the electromagnetic vacuum force on the behaviour of a model device based on materials, like germanium tellurides, that undergo fast and reversible metal-insulator transitions on passing from the crystalline to the amorphous phase. The calculations are performed at finite temperature and fully accounting for the behaviour of the material dielectric functions. The results show that the transition can be exploited to extend the distance and energy ranges under which the device can be operated without undergoing stiction phenomena. We discuss the approximation involved in adopting the Casimir expression in simulating nano- and micro- devices at finite temperature

Dynamical stabilization of classical multi electron targets against autoionization

We demonstrate that a recently published quasiclassical M\oller type approach [Geyer and Rost 2002, J. Phys. B 35 1479] can be used to overcome the problem of autoionization, which arises in classical trajectory calculations for many electron targets. In this method the target is stabilized dynamically by a backward--forward propagation scheme. We illustrate this refocusing and present total cross sections for single and double ionization of helium by electron impact.Comment: LaTeX, 6 pages, 2 figures; submitted to J. Phys.

Coordinate Singularities in Harmonically-sliced Cosmologies

Harmonic slicing has in recent years become a standard way of prescribing the lapse function in numerical simulations of general relativity. However, as was first noticed by Alcubierre (1997), numerical solutions generated using this slicing condition can show pathological behaviour. In this paper, analytic and numerical methods are used to examine harmonic slicings of Kasner and Gowdy cosmological spacetimes. It is shown that in general the slicings are prevented from covering the whole of the spacetimes by the appearance of coordinate singularities. As well as limiting the maximum running times of numerical simulations, the coordinate singularities can lead to features being produced in numerically evolved solutions which must be distinguished from genuine physical effects.Comment: 21 pages, REVTeX, 5 figure

Superspace formulation of general massive gauge theories and geometric interpretation of mass-dependent BRST symmetries

A superspace formulation is proposed for the osp(1,2)-covariant Lagrangian quantization of general massive gauge theories. The superalgebra os0(1,2) is considered as subalgebra of sl(1,2); the latter may be considered as the algebra of generators of the conformal group in a superspace with two anticommuting coordinates. The mass-dependent (anti)BRST symmetries of proper solutions of the quantum master equations in the osp(1,2)-covariant formalism are realized in that superspace as invariance under translations combined with mass-dependent special conformal transformations. The Sp(2) symmetry - in particular the ghost number conservation - and the "new ghost number" conservation are realized as invariance under symplectic rotations and dilatations, respectively. The transformations of the gauge fields - and of the full set of necessarily required (anti)ghost and auxiliary fields - under the superalgebra sl(1,2) are determined both for irreducible and first-stage reducible theories with closed gauge algebra.Comment: 35 pages, AMSTEX, precision of reference

DVCS amplitude at tree level: Transversality, twist-3, and factorization

We study the virtual Compton amplitude in the generalized Bjorken region (q^2 -> Infinity, t small) in QCD by means of a light-cone expansion of the product of e.m. currents in string operators in coordinate space. Electromagnetic gauge invariance (transversality) is maintained by including in addition to the twist-2 operators 'kinematical' twist-3 operators which appear as total derivatives of twist-2 operators. The non-forward matrix elements of the elementary twist-2 operators are parametrized in terms of two-variable spectral functions (double distributions), from which twist-2 and 3 skewed distributions are obtained through reduction formulas. Our approach is equivalent to a Wandzura-Wilczek type approximation for the twist-3 skewed distributions. The resulting Compton amplitude is manifestly transverse up to terms of order t/q^2. We find that in this approximation the tensor amplitude for longitudinal polarization of the virtual photon is finite, while the one for transverse polarization contains a divergence already at tree level. However, this divergence has zero projection on the polarization vector of the final photon, so that the physical helicity amplitudes are finite.Comment: 34 pages, revtex, 1 eps figure included using epsf. Misprints corrected, one reference adde