Related papers: Multicanonical Ensemble: A New Approach to Simulat…
We present a new method for investigating first-order phase transitions using Monte Carlo simulations. It relies on the multiple-histogram method and uses solely histograms of individual phases. In addition, we extend the method to include…
For a second-order phase transition the critical energy range of interest is larger than the energy range covered by a canonical Monte Carlo simulation at the critical temperature. Such an extended energy range can be covered by performing…
We present the speedup from a novel parallel implementation of the multicanonical method on the example of a lattice gas in two and three dimensions. In this approach, all cores perform independent equilibrium runs with identical weights,…
In this work we illustrate our novel quantitative simulation approach for dense amorphous polymer systems, as discussed in our previous work[Kulkarni et al., A Novel Approach for Lattice Simulations of Polymer Chains in Dense Amorphous…
We study the effects of frozen boundaries in a Monte Carlo simulation near a first order phase transition. Recent theoretical analysis of the dynamics of first order phase transitions has enabled to state the scaling laws governing the…
We describe a Monte Carlo scheme for the grand canonical simulation study of fluid phase equilibria in highly size-asymmetrical binary mixtures. The method utilizes an expanded ensemble in which the insertion and deletion of large particles…
We consider a Hamiltonian system made of $N$ classical particles moving in two dimensions, coupled via an {\it infinite-range interaction} gauged by a parameter $A$. This system shows a low energy phase with most of the particles trapped in…
Velazquez and Curilef have proposed a methodology to extend Monte Carlo algorithms that are based on canonical ensemble. According to our previous study, their proposal allows us to overcome slow sampling problems in systems that undergo…
The standard Potts model is investigated in the framework of nonextensive statistical mechanics. We performed Monte Carlo simulations on two-dimensional lattices with linear sizes ranging from 16 to 64 using the Metropolis algorithm, where…
In this work we extend the applicability of the microcanonical ensemble simulation method, originally proposed to study the Ising model (A. H\"uller and M. Pleimling, Int. Journal of Modern Physics C, 13, 947 (2002),…
The first order phase transition of the three-dimensional Blume Capel are investigated using cooling algorithm which improved from Creutz Cellular Automaton for the $D/J=2.9$ parameter value in the first order phase transition region. The…
We investigate the first-order transition in the spin-1 two-dimensional Blume-Capel model in square lattices by revisiting the transfer-matrix method. With large strip widths increased up to the size of 18 sites, we construct the detailed…
We study the effect of quenched coordination-number disorder of random lattices on the nature of the phase transition in the two-dimensional eight-state Potts model, which is of first order on regular lattices. We consider Poissonian random…
We apply the multicanonical technique to the three dimensional dynamical triangulation model, which is known to exhibit a first order phase transition with the Einstein-Hilbert action. We first clarify the first order nature of the phase…
We study the thermodynamic properties of the three-dimensional Blume-Capel model on the simple cubic lattice by means of computer simulations. In particular, we implement a parallelized variant of the multicanonical approach and perform…
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…
We present the results of a multicanonical simulation of the q=20 2-d Potts model in the transition region. This is a very strong first order phase transition. We observe, for the first time, the asymptotic finite size scaling behavior…
Considering one-dimensional nonminimally-coupled lattice gauge theories, a class of nonlocal one-dimensional systems is presented, which exhibits a phase transition. It is shown that the transition has a latent heat, and, therefore, is a…
Semiclassical instanton theory is a form of quantum transition-state theory which can be applied to computing thermal reaction rates for complex molecular systems including quantum tunneling effects. There have been a number of attempts to…
The first-order phase transitions and related thermodynamics properties are primary concerns of materials sciences and engineering. In traditional atomistic simulations, the phase transitions and the estimation of their thermodynamic…