Related papers: Competitive Heterogeneous Nucleation onto a Micros…
Motivated by the observations of intracellular phase separations and the wetting of cell membranes by protein droplets, we study the nonequilibrium surface wetting by Monte Carlo simulations of a lattice gas model involving particle…
The peculiarities of phase states of the triplet boson model for orthonickelates are investigated analytically and by means of numerical simulations. The conditions of thermodynamic stability of homogeneous phases are found. It is shown…
We study non-equilibrium phases for interacting two-dimensional self-propelled particles with isotropic pair-wise interactions using a persistent kinetic Monte Carlo (MC) approach. We establish the quantitative phase diagram, including the…
Metastable structures in macromolecular and colloidal systems are non-equilibrium states that often have long lifetimes and cause difficulties in simulating equilibrium. In order to escape from the long-lived metastable states, we propose a…
By molecular dynamics simulations and free energy calculations based on Monte Carlo method, the detailed balance between Pt cluster isomers was investigated. For clusters of n<=50, stationary equilibrium is achieved in 100 ns in the…
Crystallization is one of the most important phase transformations of first order. In the case of metals and alloys, the liquid phase is the parent phase of materials production. The conditions of the crystallization process control the…
In conventional molecular simulation, metastable structures often survive over considerable computational time, resulting in difficulties in simulating equilibrium states. In order to overcome this difficulty, here we propose a newly…
We consider a stochastic many-body system where a source refills uniformly the empty sites of a hypercubic lattice, on which each particle is allowed to jump (symmetrically) onto neighboring vacant sites. In addition, there is a local {\it…
We study the phase diagram of the one-dimensional Bose-Fermi-Hubbard model at unit filling for the scalar bosons and half filling for the $S=1/2$ fermions using quantum Monte Carlo simulations. The bare interaction between the fermions is…
We study a statistical mechanics model of a solid. Neighboring atoms are connected by Hookian springs. If the energy is larger than a threshold the "spring" is more likely to fail, while if the energy is lower than the threshold the spring…
Heterogeneous nucleation on catalytic surfaces plunged into a fluid is described through a stochastic model. To generate this non-equilibrium process we assume that the turn on of a electrostatic potential triggers a complex dynamics that…
We consider a two-species hard-core boson Hubbard model for a supersolid, where the two types of bosons represent vacancies and interstitials doped into a commensurate crystal. The on-site inter-species interaction may create bound states…
Structural and static properties of a classical two-dimensional (2D) system consisting of a finite number of charged particles which are laterally confined by a parabolic potential are investigated by Monte Carlo (MC) simulations and the…
The dynamics of phase transitions plays a crucial r\^ole in the so-called interface between high energy particle physics and cosmology. Many of the interesting results generated during the last fifteen years or so rely on simplified…
Homogeneous nucleation of a vapor bubble from a bulk metastable phase is studied here for the first time using the multibody dissipative particle dynamics model. The van der Waals equation of state is used to define a conservative force…
The basic problem in equilibrium statistical mechanics is to compute phase space average, in which Monte Carlo method plays a very important role. We begin with a review of nonlocal algorithms for Markov chain Monte Carlo simulation in…
We give a mathematical analysis of a concept of metastability induced by incompatibility. The physical setting is a single parent phase, just about to undergo transformation to a product phase of lower energy density. Under certain…
Predicting competitive outcomes typically requires fitting dynamical models to data, from which interaction strengths and coexistence indicators such as invasion criteria can be produced. Methods that allow to propagate parameter…
We introduce a rejection-free continuous-time kinetic Monte Carlo framework to study stochastic systems governed by multiple concurrent dynamical mechanisms. In this approach, the relative activity of each dynamical channel emerges…
The influence of uncorrelated, quenched disorder on the phase transition of two dimensional Potts models will be reviewed. After an introduction where the conditions of relevance of quenched randomness on phase transitions are exemplified…