相关论文: Surface Structure and Catalytic $CO$ Oxidation Osc…
We present first-principles kinetic Monte Carlo (1p-kMC) simulations addressing the CO oxidation reaction at Pd(100) for gas-phase conditions ranging from ultra-high vacuum (UHV) to ambient pressures and elevated temperatures. For the…
Inspired by the approach of kinetic theory of gases, a three-level description (microscopic, mesoscopic and macroscopic) of cellular automaton is presented. To provide an analytical treatment a simple domino cellular automaton with…
We present a multi-lattice kinetic Monte Carlo (kMC) approach that efficiently describes the atomistic dynamics of morphological transitions between commensurate structures at crystal surfaces. As an example we study the reduction of a…
We say that a Cellular Automata (CA) is coalescing when its execution on two distinct (random) initial configurations in the same asynchronous mode (the same cells are updated in each configuration at each time step) makes both…
A cellular automaton model is presented for random walkers with biologically motivated interactions favoring local alignment and leading to collective motion or swarming behavior. The degree of alignment is controlled by a sensitivity…
Cellular automata are fully-discrete, spatially-extended dynamical systems that evolve by simultaneously applying a local update function. Despite their simplicity, the induced global dynamic produces a stunning array of richly-structured,…
A general physics-based model is developed for heterogeneous electrocatalysis in porous electrodes and used to predict and interpret the impedance of solid oxide fuel cells. This model describes the coupled processes of oxygen gas…
Pedestrian dynamics exhibits various collective phenomena. Here we study bidirectional pedestrian flow in a floor field cellular automaton model. Under certain conditions, lane formation is observed. Although it has often been studied…
Many ordered adlayer structures have been reported for CO on the (100) surfaces of Pt, Rh, Pd, Ni and Cu. Also, some ordered structures are known for NO on the same surfaces. The current review includes all those articles that give a…
Cellular automata are a fundamental computational model with applications in mathematics, computer science, and physics. In this work, we explore the study of cellular automata to cases where the universe is a group, introducing the concept…
This study aims at finding a method for constructing molecular dynamics like models using the formalism of cellular automata for fast simulation of fluid dynamic systems (including compressible phenomena). In as much as the results…
A simple mechanism for the emergence of complexity in cellular automata out of predictable dynamics is described. This leads to unfold the concept of conditional predictability for systems whose trajectory can only be piecewise known. The…
We have developed a simple cellular automata model for nonlinearly coupled phase oscillators which can exhibit many important collective dynamical states found in other synchronizing systems. The state of our system is specified by a set of…
Phase separation and coarsening is a phenomenon commonly seen in binary physical and chemical systems that occur in nature. Often times, thermal fluctuations, modeled as stochastic noise, are present in the system and the phase segregation…
A simple relation of the order of $n$ abstract objects generates an $n-2$ dimensional basis of three dimensional vectors. A cellular automaton-like model of evolution of this system is postulated. During this evolution, some quantities…
Knowledge of the atomic geometry of a surface is a prerequisite for any detailed understanding of the surface's electronic structure and chemical properties. Previous studies have convincingly demonstrated that density functional theory…
We study a generic model for the polarisation and motility of self-propelled soft objects, biological cells or biomimetic systems, interacting with a viscous substrate. The active forces generated by the cell on the substrate are modelled…
We study the phase diagram and the critical behavior of a one-dimensional radius-1 two-state totalistic probabilistic cellular automaton having two absorbing states. This system exhibits a first-order phase transition between the fully…
The illumination of catalytic surfaces with a continuous or pulsed stream of photons dynamically modulates surface chemistry for faster rates, higher conversion, or product selectivity control. To establish fundamental principles of dynamic…
Chemical waves of CO oxidation on platinum surfaces exhibit complex spatio-temporal self-oscillations, yet the local electronic mechanisms driving their propagation remain poorly understood under operando conditions. In this work, we…