We explore the effects of various basic atomic processes on the island shapes of diffusion-limited-aggregate growth on a triangular lattice using kinetic Monte Carlo simulation. Edge diffusion and bond-reducing relaxation of double-coordinated adatoms, as well as single-coordinated adatoms, are proved to be essential to the island shape transition from fractal to irregularly compact and from ir...

While kinetic Monte Carlo simulations can provide long-time simulations of the dynamics of physical and chemical systems, it is not yet possible in general to identify the inverse Monte Carlo attempt frequency with a physical timescale. Here we demonstrate such an identification by comparing simulations with experimental data. Using a dynamic lattice-gas model for the electrosorption of Br on A...

attempts to obtain experimental values for the kinetic parameters of phenanthridine oxidation by guinea pig or rabbit liver aldehyde oxidase using common spectrophotometric methods have not been successful due to a lower limit of detection. in the present study, a new spectrofluorimetric assay in combination with a multivariate calibration method for enzymatic kinetic study of aldehyde oxidase ...

The kinetic analysis of complex solid-state reactions that involve simultaneous overlapping processes is challenging. A method that involves the deconvolution of the individual processes from the overall differential kinetic curves obtained under linear heating rate conditions, followed by the kinetic analysis of the discrete processes using combined kinetic analysis, is proposed. Different con...

Kinetic parameters of the ammonolysis reaction of dichloroethane in nonaqueous media are studied and the optimum reaction conditions are reported. A suitable reactor for running the reaction under high pressure in the range of 50 to 500 °C is designed. Kinetic behaviours of the system is studied and other reaction parameters such as rate constant, kinetic order, and activation energy are de...

the kinetic of fischer-tropsch synthesis over a co-precipitated fe-ce catalyst was investigated in a fixed bed micro reactor. experimental conditions were varied as follow: reaction pressure 1-15bar, h¬¬¬2/co feed ratio of 1-3 and space velocity of 3600-5400 h-1 at the temperature range of 270-310°c. 4 models according to the langmuir-hinshelwood-hougen-watson (lhhw) type rate equation were der...

We propose that the formation of zigzag structures on Si(1 1 0) during anisotropic etching is mainly a result of the formation of inhomogeneous regions in the etchant due to diffusion phenomena. In the same way as the presence of these etchant inhomogeneities results in step bunches on miscut (1 1 1) surfaces, it results in zigzags on the (1 1 0) surface. To support this proposal, we present an...

We present a method of performing kinetic Monte Carlo simulations that does not require an a priori list of diffusion processes and their associated energetics and reaction rates. Rather, at any time during the simulation, energetics for all possible singleor multiatom processes, within a specific interaction range, are either computed accurately using a saddle-point search procedure, or retrie...

We study existence of complex structures on semidirect products g⊕ρ v where g is a real Lie algebra and ρ is a representation of g on v. Our first examples, the Euclidean algebra e(3) and the Poincaré algebra e(2, 1), carry complex structures obtained by deformation of a regular complex structure on sl(2,C). We also exhibit a complex structure on the Galilean algebra G(3, 1). We construct next ...

We investigate strained heteroepitaxial crystal growth in the framework of a simplifying (1+1)-dimensional model by use of offlattice Kinetic Monte Carlo simulations. Our modified LennardJones system displays the so-called Stranski-Krastanov growth mode: initial pseudomorphic growth ends by the sudden appearance of strain induced multilayer islands upon a persisting wetting layer.