Search results for "Microcanonical ensemble"
showing 7 items of 7 documents
Canonical versus microcanonical analysis of first-order phase transitions
1998
Abstract I discuss the relation between canonical and microcanonical analyses of first-order phase transitions. In particular it is shown that the microcanonical Maxwell construction is equivalent to the equal-peak-height criterion often employed in canonical simulations. As a consequence the microcanonical finite-size estimators for the transition point, latent heat and interface tension are identical to standard estimators in the canonical ensemble. Special emphasis is placed on various ways for estimating interface tensions. The theoretical considerations are illustrated with numerical data for the two-dimensional 10-state Potts model.
Temperature concepts for small, isolated systems: 1/t decay and radiative cooling
2003
We report on progress in our investigations of cluster cooling. The analysis of measurements is based on introduction of the microcanonical temperature and a statistical description of the decay of an ensemble with a broad distribution in temperature. The resulting time dependence of the decay rate is a power law close to t �1 , replaced by nearly exponential decay after a characteristic time for quenching by radiative cooling. We focus on results obtained for fullerenes, both anions and cations and recently also neutral C60.
Finite-size scaling in a microcanonical ensemble
1988
The finite-size scaling technique is extended to a microcanonical ensemble. As an application, equilibrium magnetic properties of anL×L square lattice Ising model are computed using the microcanonical ensemble simulation technique of Creutz, and the results are analyzed using the microcanonical ensemble finite-size scaling. The computations were done on the multitransputer system of the Condensed Matter Theory Group at the University of Mainz.
Classical and Quantum Two-Dimensional Fluids in the Gibbs Ensemble
1994
We study the properties of model fluids in two spatial dimensions with Gibbs ensemble Monte Carlo (GEMC) techniques. In particular in the first part of the paper we study the entropy driven phase separation in case of a nonadditive symmetric hard disc fluid and locate by a combination of GEMC with finite size scaling techniques the critical line of nonadditivities as a function of the system density, which separates the mixing/demixing regions, we compare with a simple approximation. In the second part we successfully combine path integral Monte Carlo (PIMC) and GEMC techniques in order to locate the gas-liquid coexistence densities for a fluid with classical degrees of freedom and internal…
Microcanonical foundation of nonextensivity and generalized thermostatistics based on the fractality of the phase space
2005
We develop a generalized theory of (meta)equilibrium statistical mechanics in the thermodynamic limit valid for both smooth and fractal phase spaces. In the former case, our approach leads naturally to Boltzmann-Gibbs standard thermostatistics while, in the latter, Tsallis thermostatistics is straightforwardly obtained as the most appropriate formalism. We first focus on the microcanonical ensemble stressing the importance of the limit $t \to \infty$ on the form of the microcanonical measure. Interestingly, this approach leads to interpret the entropic index $q$ as the box-counting dimension of the (microcanonical) phase space when fractality is considered.
Microcanonical Determination of the Interface Tension of Flat and Curved Interfaces from Monte Carlo Simulations
2012
The investigation of phase coexistence in systems with multi-component order parameters in finite systems is discussed, and as a generic example, Monte Carlo simulations of the two-dimensional q-state Potts model (q=30) on LxL square lattices (40<=L<=100) are presented. It is shown that the microcanonical ensemble is well-suited both to find the precise location of the first order phase transition and to obtain an accurate estimate for the interfacial free energy between coexisting ordered and disordered phases. For this purpose, a microcanonical version of the heatbath algorithm is implemented. The finite size behaviour of the loop in the curve describing the inverse temperature vers…
Coil-bridge transition in a single polymer chain as an unconventional phase transition: theory and simulation.
2014
The coil-bridge transition in a self-avoiding lattice chain with one end fixed at height H above the attractive planar surface is investigated by theory and Monte Carlo simulation. We focus on the details of the first-order phase transition between the coil state at large height H ⩾ Htr and a bridge state at H ⩽ Htr, where Htr corresponds to the coil-bridge transition point. The equilibrium properties of the chain were calculated using the Monte Carlo pruned-enriched Rosenbluth method in the moderate adsorption regime at (H/Na)tr ⩽ 0.27 where N is the number of monomer units of linear size a. An analytical theory of the coil-bridge transition for lattice chains with excluded volume interact…