Search results for "Tempering"

Monte Carlo simulations of the periodically forced autocatalyticA+B→2Breaction

2000

The one-parameter autocatalytic Lotka-like model, which exhibits self-organized oscillations, is considered on a two-dimensional lattice, using Monte Carlo computer simulations. Despite the simplicity of the model, periodic modulation of the only control parameter drives the system through a sequence of frequency locking, quasiperiodic, and resonance behavior.

Crossover scaling in semidilute polymer solutions: a Monte Carlo test

1991

Performance potential for simulating spin models on GPU

2012

Graphics processing units (GPUs) are recently being used to an increasing degree for general computational purposes. This development is motivated by their theoretical peak performance, which significantly exceeds that of broadly available CPUs. For practical purposes, however, it is far from clear how much of this theoretical performance can be realized in actual scientific applications. As is discussed here for the case of studying classical spin models of statistical mechanics by Monte Carlo simulations, only an explicit tailoring of the involved algorithms to the specific architecture under consideration allows to harvest the computational power of GPU systems. A number of examples, ran…

B–T phase diagram of Pd/Fe/Ir(111) computed with parallel tempering Monte Carlo

2017

We use an atomistic spin model derived from density functional theory calculations for the ultra-thin film Pd/Fe/Ir(111) to show that temperature induces coexisting non-zero skyrmion and antiskyrmion densities. We apply the parallel tempering Monte Carlo method in order to reliably compute thermodynamical quantities and the B-T phase diagram in the presence of frustrated exchange interactions. We evaluate the critical temperatures using the topological susceptibility. We show that the critical temperatures depend on the magnetic field in contrast to previous work. In total, we identify five phases: spin spiral, skyrmion lattice, ferromagnetic phase, intermediate region with finite topologic…

Equilibrating Glassy Systems with Parallel Tempering

2001

We discuss the efficiency of the so-called parallel tempering method to equilibrate glassy systems also at low temperatures. The main focus is on two structural glass models, SiO2 and a Lennard-Jones system, but we also investigate a fully connected 10 state Potts-glass. By calculating the mean squared displacement of a tagged particle and the spin-autocorrelation function, we find that for these three glass-formers the parallel tempering method is indeed able to generate, at low temperatures, new independent configurations at a rate which is O(100) times faster than more traditional algorithms, such as molecular dynamics and single spin flip Monte Carlo dynamics. In addition we find that t…

Molecular-Level Characterization of Heterogeneous Catalytic Systems by Algorithmic Time Dependent Monte Carlo

2009

Monte Carlo algorithms and codes, used to study heterogeneous catalytic systems in the frame of the computational section of the NANOCAT project, are presented along with some exemplifying applications and results. In particular, time dependent Monte Carlo methods supported by high level quantum chemical information employed in the field of heterogeneous catalysis are focused. Technical details of the present algorithmic Monte Carlo development as well as possible evolution aimed at a deeper interrelationship of quantum and stochastic methods are discussed, pointing to two different aspects: the thermal-effect involvement and the three-dimensional catalytic matrix simulation. As topical app…

An Adaptive Parallel Tempering Algorithm

2013

Parallel tempering is a generic Markov chainMonteCarlo samplingmethod which allows good mixing with multimodal target distributions, where conventionalMetropolis- Hastings algorithms often fail. The mixing properties of the sampler depend strongly on the choice of tuning parameters, such as the temperature schedule and the proposal distribution used for local exploration. We propose an adaptive algorithm with fixed number of temperatures which tunes both the temperature schedule and the parameters of the random-walk Metropolis kernel automatically. We prove the convergence of the adaptation and a strong law of large numbers for the algorithm under general conditions. We also prove as a side…

Efficient parallel tempering for first-order phase transitions

2007

We present a Monte Carlo algorithm that facilitates efficient parallel tempering simulations of the density of states g(E) . We show that the algorithm eliminates the supercritical slowing down in the case of the Q=20 and Q=256 Potts models in two dimensions, typical examples for systems with extreme first-order phase transitions. As recently predicted, and shown here, the microcanonical heat capacity along the calorimetric curve has negative values for finite systems.

Influence of different veneering techniques and thermal tempering on flexural strength of ceramic veneered yttria partially stabilized tetragonal zir…

2019

Background Different technique for ceramic veneering and thermal tempering process are expected to be a reason for alteration in strength of ceramic veneered zirconia. This study evaluates the effect of different veneering technique and varied thermal tempering process on flexural strength of ceramic veneered zirconia. Material and Methods Ceramic veneered zirconia bars (25 mm length, 4 mm width, 0.7&1.0mm of zirconia & ceramic thickness) were prepared from zirconia block (e.max® ZirCAD), sintered at 1500°C for 4 hours, and veneered with ceramics with different techniques including CAD-fused using e.max CAD® (C), Pressed-on using e.max® Zirpress (P), and layering using e.max® ceram (L), wit…

Ergodicity breaking in a mean field Potts glass: A Monte Carlo investigation

2002

We use Monte Carlo simulations, single spin-flip as well as parallel tempering techniques to investigate the 10-state fully connected Potts glass for system sizes of up to N = 2560. We find that the α-relaxation shows a strong dependence on N and that for the system sizes considered the system remains ergodic even at temperatures below T D , the dynamical critical temperature for this model. However, if one uses the data for the finite size systems, such as the relaxation times or the time dependence of the spin autocorrelation function, and extrapolates them to the thermodynamic limit, one finds that they are indeed compatible with the results for N = ∞ (which are known from analytical cal…