相关论文: Surface Structure and Catalytic $CO$ Oxidation Osc…

Dependence of frequency spectra of the lattice oscillations of organic nano-crystals on temperature is studied at presence of vacancies in structure. In a frequency spectrum a number of additional lines monotonously changing with…

Molecular Dynamics simulations are reported for the structural and thermodynamic properties of submonolayer xenon adsorbed on the $(111)$ surface of platinum for temperatures up to the (apparently incipient) triple point and beyond. While…

Quantum cellular automata are important tools in understanding quantum dynamics, thanks to their simple and effective list of rules. Here we investigate explicitly how coherence is built and lost in the evolution of one-dimensional automata…

In this paper I present a first attempt for a possible description of fluids dynamics by mean of a cellular automata technique. With the use of simple and elementary rules, based on random behaviour either, the model permits to obtain the…

We study discrete dynamical systems through the topological concepts of limit set, which consists of all points that can be reached arbitrarily late, and asymptotic set, which consists of all adhering values of orbits. In particular, we…

A stochastic cellular automata (CA) model for pedestrian dynamics is presented. Our goal is to simulate different types of pedestrian movement, from regular to panic. But here we emphasize regular situations which imply that pedestrians…

Using a coarse molecular-dynamics (CMD) approach with an appropriate choice of coarse variable (order parameter), we map the underlying effective free-energy landscape for the melting of a crystalline solid. Implementation of this approach…

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…

While there has been a keen interest in studying computation at the edge of chaos for dynamical systems undergoing a phase transition, this has come under question for cellular automata. We show that for continuously deformed cellular…

Metal-support interactions are frequently invoked to explain the enhanced catalytic activity of metal nanoparticles dispersed over reducible metal-oxide supports, yet the atomic scale mechanisms are rarely known. Here, we use scanning…

Cellular automata (CA) exemplify systems where simple local interaction rules can lead to intricate and complex emergent phenomena at large scales. The various types of dynamical behavior of CA are usually categorized empirically into…

Electrocatalytic CO$_2$RR is an interfacial process, involving a minimum of three phases at the contact point of gaseous CO$_2$ with the electrodic surface and the liquid electrolyte. As a consequence, surface chemistry at composite…

A digit function is presented which provides the $i$th-digit in base $p$ of any real number $x$. By means of this function, formulated within $\mathcal{B}$-calculus, the local, nonlocal and global dynamical behaviors of cellular automata…

In this paper, we explore relationships between two models of systems which are governed by only the local interactions of large collections of simple components: cellular automata (CA) and the abstract Tile Assembly Model (aTAM). While…

Oxidation reaction of CO on a single platinum crystal is a reaction-diffusion system that may exhibit bistable, excitable, and oscillatory behavior. We studied the effect of a stochastic signal artificially introduced into the system…

A new combination of first principle molecular dynamics (MD) simulations with a rate equation model presented in the preceding paper (paper I) is applied to analyze in detail the scattering of argon atoms from a platinum (111) surface. The…

We investigate cellular automata where some global quantity varies periodically or quasiperiodically with time. We find that these systems are highly predictable, and can be rather well described by a set of mean-field variables. We…

We study the classical dynamics of the collinear positron-hydrogen scattering system below the three-body breakup threshold. Observing the chaotic behavior of scattering time signals, we in- troduce a code system appropriate to a coarse…

The STM induced rotation and dissociation dynamics of a single oxygen molecule on the Pt(111) surface have been finally determined by first principles calculations together with a newly developed statistical model for inelastic electron…

We investigate the critical behaviour of a probabilistic mixture of cellular automata (CA) rules 182 and 200 (in Wolfram's enumeration scheme) by mean-field analysis and Monte Carlo simulations. We found that as we switch off one CA and…