Realistic multisite lattice-gas modeling and KMC simulation of catalytic surface reactions: kinetics and multiscale spatial behavior for CO-oxidation on metal (1 0 0) …

DJ Liu, JW Evans - Progress in surface science, 2013 - Elsevier
A realistic molecular-level description of catalytic reactions on single-crystal metal surfaces
can be provided by stochastic multisite lattice-gas (msLG) models. This approach has …

Kinetic Monte Carlo simulation of statistical mechanical models and coarse-grained mesoscale descriptions of catalytic reaction–diffusion processes: 1D nanoporous …

DJ Liu, A Garcia, J Wang, DM Ackerman… - Chemical …, 2015 - ACS Publications
Traditional mean-field rate equations of chemical kinetics for spatially uniform systems (1-3)
and the corresponding reaction–diffusion equations describing spatial heterogeneity (4-6) …

Pigment cell movement is not required for generation of Turing patterns in zebrafish skin

D Bullara, Y De Decker - Nature communications, 2015 - nature.com
The zebrafish is a model organism for pattern formation in vertebrates. Understanding what
drives the formation of its coloured skin motifs could reveal pivotal to comprehend the …

Asymptotic regime in N random interacting species

A Fiasconaro, D Valenti, B Spagnolo - The European Physical Journal B …, 2006 - Springer
The asymptotic regime of a complex ecosystem with N random interacting species and in the
presence of an external multiplicative noise is analyzed. We find the role of the external …

Schloegl's second model for autocatalysis on hypercubic lattices: Dimension dependence of generic two-phase coexistence

CJ Wang, DJ Liu, JW Evans - Physical Review E—Statistical, Nonlinear, and …, 2012 - APS
Schloegl's second model on a (d≥ 2)-dimensional hypercubic lattice involves:(i)
spontaneous annihilation of particles with rate p and (ii) autocatalytic creation of particles at …

Discontinuous Phase Transitions in Nonlocal Schloegl Models for Autocatalysis: Loss and Reemergence of a Nonequilibrium Gibbs Phase Rule

DJ Liu, CJ Wang, JW Evans - Physical Review Letters, 2018 - APS
We consider Schloegl models (or contact processes) where particles on a square grid
annihilate at a rate p and are created at a rate of kn= n (n− 1)/[N (N− 1)] at empty sites with n …

[HTML][HTML] Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

CJ Wang, DJ Liu, JW Evans - The Journal of Chemical Physics, 2015 - pubs.aip.org
Threshold versions of Schloegl's model on a lattice, which involve autocatalytic creation and
spontaneous annihilation of particles, can provide a simple prototype for discontinuous non …

Metastability in Schloegl's second model for autocatalysis: Lattice-gas realization with particle diffusion

X Guo, Y De Decker, JW Evans - … Review E—Statistical, Nonlinear, and Soft …, 2010 - APS
We analyze metastability associated with a discontinuous nonequilibrium phase transition in
a stochastic lattice-gas realization of Schloegl's second model for autocatalysis. This model …

Bistability and explosive transients in surface reactions: the role of fluctuations and spatial correlations

Y De Decker, F Baras - The European Physical Journal B, 2010 - Springer
We study the dynamics of a class of catalytic surface reactions in which an adsorbed
molecule undergoes dissociation giving oxygen, which then rapidly reacts with H adatoms to …

Schloegl's Second Model for Autocatalysis on a Cubic Lattice: Mean-Field-Type Discrete Reaction-Diffusion Equation Analysis

CJ Wang, X Guo, DJ Liu, JW Evans - Journal of Statistical Physics, 2011 - Springer
Schloegl's second model for autocatalysis on a hypercubic lattice of dimension d≥ 2
involves:(i) spontaneous annihilation of particles at lattice sites with rate p; and (ii) …