Related papers: Phase changes in 38 atom Lennard-Jones clusters. I…
Molecular dynamics calculations of the fluctuation of bond vibration revealed the shell-resolved kinetics of surface melting of closed-shelled cluster containing 147atoms with Lennard-Jones type interaction. It is found that the surface…
A kinetic Monte Carlo (KMC) method is used to study the structural properties and dynamics of a supercooled binary Lennard-Jones liquid around the glass transition temperature. This technique permits us to explore the potential energy…
We consider generalized quantum Ising models, including those which could describe disordered materials or quantum annealers, and we prove that for all temperatures above a system-size independent threshold the path integral Monte Carlo…
In a cluster crystal, each lattice site is occupied by multiple soft-core particles. As the number density is increased at zero temperature, a `cascade' of isostructural phase transitions can occur between states whose site occupancy…
The thermodynamic properties of heated nuclear matter are explored using an exactly solvable canonical ensemble model. This model reduces to the results of an ideal Fermi gas at low temperatures. At higher temperatures, the fragmentation of…
Canonical ensembles consisting of $M$-unit $Hubbard$ $dimers$ have been studies within the nonextensive statistics (NES). The temperature dependences of the energy, entropy, specific heat and susceptibility have been calculated for the…
The configurational and melting properties of large two-dimensional clusters of charged classical particles interacting with each other via the Coulomb potential are investigated through the Monte Carlo simulation technique. The particles…
Evaporation and condensation at a liquid/vapor interface are ubiquitous interphase mass and energy transfer phenomena that are still not well understood. We have carried out large scale molecular dynamics simulations of Lennard-Jones (LJ)…
Monte Carlo simulations have boosted the numerical study of several different physical systems and in particular, the canonical ensemble has been especially useful because of the existence of easy and efficient relaxation algorithms…
Bosonic Josephson junctions can be realized by confining ultracold gases of bosons in multi-well traps, and studied theoretically with the $M$-site Bose-Hubbard model. We show that canonical equilibrium states of the $M$-site Bose-Hubbard…
A new method is proposed for a treatment of ideal quantum gases in the microcanonical ensemble near the thermodynamic limit. The method allows rigorous asymptotic calculations of the average number of particles and particle number…
Understanding the pathways to crystallization during the deposition of a vapor phase on a cold solid substrate is of great interest in industry, e.g., for the realization of electronic devices made of crystallites-free glassy materials, as…
Monte Carlo simulations within the grand canonical ensemble are used to explore the liquid-vapour coexistence curve and critical point properties of the Lennard-Jones fluid. Attention is focused on the joint distribution of density and…
Many experimentally-accessible, finite-sized interacting quantum systems are most appropriately described by the canonical ensemble of statistical mechanics. Conventional numerical simulation methods either approximate them as being coupled…
The atom fluctuations statistics of an ideal, mesoscopic, Bose-Einstein condensate is investigated from several different perspectives. By generalizing the grand canonical analysis (applied to the canonical ensemble problem), we obtain a…
We present a new theoretical framework for modelling the cluster growing process. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system and absorbing its energy at each step, we find cluster growing…
We have done a finite-size scaling study of a continuous phase transition altered by the quenched bond disorder, investigating systems at quasicritical temperatures of each disorder realization by using the equilibriumlike invaded cluster…
Within the framework of Landau-de Gennes theory for nematic liquid crystals, we study the temperature-induced isotropic-nematic phase transition on a spherical shell. Below a critical temperature, a thin layer of nematic coating a…
Parallel tempering simulates at many quark masses simultaneously, by changing the mass during the simulation while remaining in equilibrium. The algorithm is faster than pure HMC if more than one mass is needed, and works better the smaller…
The pair correlations in mesoscopic systems such as $nm$-size superconducting clusters and nuclei are studied at finite temperature for the canonical ensemble of fermions in model spaces with a fixed particle number: i) a degenerate…