Related papers: Mapping the phase transitions of the ZGB model wit…
In this work, we revisited the Ziff-Gulari-Barshad (ZGB) model to study its phase transitions and critical exponents through time-dependent Monte Carlo simulations. We used a method proposed recently to locate the non-equilibrium…
A random distribution of inert sites is introduced in the Ziff-Gulari-Barshad model to study the phase transitions between active and poisoned states. The adsorption of ${\rm CO}$ and ${\rm O_2}$ molecules is not possible at the position of…
We study the behavior of the phase transitions of the Ziff-Gullari-Barshad (ZGB) model when the $CO$ molecules are adsorbed on the catalytic surface with a rate $y$ and desorbed from the surface with a rate $k$. We employ large-scale…
We study by kinetic Monte Carlo simulations the catalytic oxidation of carbon monoxide on a surface in the presence of contaminants in the gas phase. The process is simulated by a Ziff-Gulari-Barshad (ZGB) model that has been modified to…
The Ziff-Gulari-Barshad (ZGB) model, a simplified description of the oxidation of carbon monoxide (CO) on a catalyst surface, is widely used to study properties of nonequilibrium phase transitions. In particular, it exhibits a…
We studied in this work a modified version of the Ziff, Gulari and Barshad (ZGB) model in which the adsorption probabilities of CO and O2 are site dependent. We employed Monte Carlo simulations to determine the phase diagram of the model as…
In this work, we present an extensive computational study on the Ziff-Gulari-Barshad (ZGB) model extended in order to include the spatial diffusion of oxygen atoms and carbon monoxide molecules, both adsorbed on the surface. In our…
We study by kinetic Monte Carlo simulations the dynamic behavior of a Ziff-Gulari-Barshad (ZGB) model for the catalytic oxidation of CO on a surface. It is well known that the ZGB model presents a continuous transition between an oxygen…
We present a computational study of the dynamic behavior of a Ziff-Gulari-Barshad model of CO oxidation with CO desorption on a catalytic surface. Our results provide further evidence that below a critical desorption rate the model exhibits…
In this work, we revisited the Ziff-Gullari-Barshad (ZGB) model in order to investigate its critical behavior when carbon monoxide (CO) molecules are allowed to desorb from the catalytic surface. As shown by several authors, when this kind…
The first-order irreversible phase transition (FOIPT) of the ZGB model [Ziff, Gulari, Barshad, Phys. Rev. Lett. \textbf{56} (1986) 2553] for the catalytic oxidation of carbon monoxide is studied numerically in the presence of a slowly…
We present kinetic Monte Carlo simulations exploring the nonequilibrium phase diagram of a modified Ziff-Gulari-Barshad (ZGB) dynamic lattice-gas model for the catalytic oxidation of carbon monoxide (CO) on a surface. The modified model…
We present results of kinetic Monte Carlo simulations of a modified Ziff-Gulari-Barshad model for the reaction CO+O --> CO_2 on a catalytic surface. Our model includes impurities in the gas phase, CO desorption, and a modification known to…
Results of large-scale Monte Carlo simulations of three-dimensional Ising models with edges and corners are reviewed. At the ordinary transition, angle dependent critical exponents are observed, whereas at the surface transition edge and…
In the literature of magnetic phase transitions, in addition to a critical point, existence of another special point has been discussed. This is related to the broadening of interface between two different ordering phases and is referred to…
We propose an iterative proposal to estimate critical points for statistical models based on configurations by combing machine-learning tools. Firstly, phase scenarios and preliminary boundaries of phases are obtained by…
This study addresses microstructure selection mechanisms in rapid solidification, specifically targeting the transition from cellular/dendritic to planar interface morphologies under conditions relevant to additive manufacturing. We use a…
We investigate the nonequilibrium roughening transition of a one-dimensional restricted solid-on-solid model by directly sampling the stationary probability density of a suitable order parameter as the surface adsorption rate varies. The…
Using kinetic Monte Carlo simulations, we study the effect of oscillatory kinetics due to surface reconstructions on Ziff-Gulari-Barshad (ZGB) model discontinuous phase transition. To investigate the transition, we do extensive finite size…
Lattice models exhibit significant potential in investigating phase transitions, yet they encounter numerous computational challenges. To address these issues, this study introduces a Monte Carlo-based approach that transforms lattice…