16,568 research outputs found
Phase changes in 38 atom Lennard-Jones clusters. II: A parallel tempering study of equilibrium and dynamic properties in the molecular dynamics and microcanonical
We study the 38-atom Lennard-Jones cluster with parallel tempering Monte
Carlo methods in the microcanonical and molecular dynamics ensembles. A new
Monte Carlo algorithm is presented that samples rigorously the molecular
dynamics ensemble for a system at constant total energy, linear and angular
momenta. By combining the parallel tempering technique with molecular dynamics
methods, we develop a hybrid method to overcome quasi-ergodicity and to extract
both equilibrium and dynamical properties from Monte Carlo and molecular
dynamics simulations. Several thermodynamic, structural and dynamical
properties are investigated for LJ, including the caloric curve, the
diffusion constant and the largest Lyapunov exponent. The importance of
insuring ergodicity in molecular dynamics simulations is illustrated by
comparing the results of ergodic simulations with earlier molecular dynamics
simulations.Comment: Journal of Chemical Physics, accepte
An Enactive Theory of Need Satisfaction
In this paper, based on the predictive processing approach to cognition, an enactive theory of need satisfaction is discussed. The theory can be seen as a first step towards a computational cognitive model of need satisfaction
Dual branes in topological sigma models over Lie groups. BF-theory and non-factorizable Lie bialgebras
We complete the study of the Poisson-Sigma model over Poisson-Lie groups.
Firstly, we solve the models with targets and (the dual group of the
Poisson-Lie group ) corresponding to a triangular -matrix and show that
the model over is always equivalent to BF-theory. Then, given an
arbitrary -matrix, we address the problem of finding D-branes preserving the
duality between the models. We identify a broad class of dual branes which are
subgroups of and , but not necessarily Poisson-Lie subgroups. In
particular, they are not coisotropic submanifolds in the general case and what
is more, we show that by means of duality transformations one can go from
coisotropic to non-coisotropic branes. This fact makes clear that
non-coisotropic branes are natural boundary conditions for the Poisson-Sigma
model.Comment: 24 pages; JHEP style; Final versio
Melting of aluminium clusters
The melting of Al clusters in the size range 49 <= N <= 62 has been studied
using two model interatomic potentials. The results for the two models are
significantly different. The glue potential exhibits a smooth relatively
featureless heat capacity curve for all sizes except for N = 54 and N = 55,
sizes at which icosahedral structures are favoured over the polytetrahedral.
Gupta heat capacity curves, instead, show a well-defined peak that is
indicative of a first-order-like transition. The differences between the two
models reflect the different ground-state structures, and neither potential is
able to reproduce or explain the size dependence of the melting transition
recently observed in experiments
Thermal analysis applied to estimation of solidification kinetics of AlâSi aluminium alloys
Evaluation of solidification kinetics by thermal analysis is a useful tool for quality control of AlâSi melts before pouring provided it is rapid and highly reproducible. Series of thermal analysis records made with standard cups are presented that show good reproducibility. They are evaluated using a Newtonâs like approach to get the instantaneous heat evolution and from it solidification kinetics. An alternative way of calculating the zero line is proposed which is validated by the fact that the latent heat of solidification thus evaluated is within 5% of the value calculated from thermodynamic data. Solidification kinetics was found highly reproducible provided appropriate experimental conditions were achieved: high enough casting temperature for the cup to heat up to the metal temperature well before solidification starts; and equal and homogeneous temperatures of the metal and of the cup at any time in the temperature range used for integration
Switching of Magnetic Moments of Nanoparticles by Surface Acoustic Waves
We report evidence of the magnetization reversal in nanoparticles by surface
acoustic waves (SAWs). The experimental system consists of isolated magnetite
nanoparticles dispersed on a piezoelectric substrate. Magnetic relaxation from
a saturated state becomes significantly enhanced in the presence of the SAW at
a constant temperature of the substrate. The dependence of the relaxation on
SAW power and frequency has been investigated. The effect is explained by the
effective ac magnetic field generated by the SAW in the nanoparticles.Comment: Accepted in Europhysics Letter
Coherence Resonance in Chaotic Systems
We show that it is possible for chaotic systems to display the main features
of coherence resonance. In particular, we show that a Chua model, operating in
a chaotic regime and in the presence of noise, can exhibit oscillations whose
regularity is optimal for some intermediate value of the noise intensity. We
find that the power spectrum of the signal develops a peak at finite frequency
at intermediate values of the noise. These are all signatures of coherence
resonance. We also experimentally study a Chua circuit and corroborate the
above simulation results. Finally, we analyze a simple model composed of two
separate limit cycles which still exhibits coherence resonance, and show that
its behavior is qualitatively similar to that of the chaotic Chua systemComment: 4 pages (including 4 figures) LaTeX fil
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