The joint probability distribution ( JPD) for island sizes, s, and capture zone areas, A, provides extensive information on the distribution of islands formed during submonolayer deposition. For irreversible island formation via homogeneous nucleation, this JPD is shown to display scaling of the type F(s/sav,A/Aav), where “av” denotes average values. The form of F reflects both a broad monomoda...

Kinetic Monte Carlo (KMC) method has been widely used in simulating rare events such as chemical reactions or phase transitions. Yet lack of complete knowledge of transitions and the associated rates is one major challenge for accurate KMC predictions. In this paper, a reliable KMC (R-KMC) mechanism is proposed in which sampling is based on random sets instead of random numbers to improve the r...

We present the results of kinetic Monte Carlo simulations aimed at exploring the effect of copolymer sequence distribution on the dynamics of phase separation of an immiscible A/B binary homopolymer blend. Diblock, protein-like copolymers (PLCs), simple linear gradient, random, and alternating copolymers having equal number of A and B segments, identical chemical composition, and chain length a...

Many physical or biological phenomena deal with the dynamics of interacting entities. These class of phenomena are well described in physics, using a kinetic approach based on Boltzmann equation. A Generalized Kinetic theory has been proposed to extend this approach to biological scenarios. An analytical solution of Boltzmann equation can be found only in very simple cases, so numerical methods...

Creatinine amidohydrolase is used to measure serum creatinine in a totally enzymatic procedure. Creatine, produced by hydrolysis, is acted upon by creatine kinase, and then by pyruvate kinase and lactate dehydrogenase, to result in a change in absorbance at 340 nm. The amount of creatinine present is related to the rate of change in A340 and is determined from a standard curve. Absorbance and c...

In this paper we present the first numerical method for a kinetic description of the Vicsek swarming model. The kinetic model poses a unique challenge, as there is a distribution dependent collision invariant to satisfy when computing the interaction term. We use a spectral representation linked with a discrete constrained optimization to compute these interactions. To test the numerical scheme...

We present an efficient method for Monte Carlo simulations of diffusion-reaction processes. Introduced by us in a previous paper [Phys. Rev. Lett. 97, 230602 (2006)], our algorithm skips the traditional small diffusion hops and propagates the diffusing particles over long distances through a sequence of superhops, one particle at a time. By partitioning the simulation space into nonoverlapping ...

We investigate the mechanisms of three-dimensional 3D to two-dimensional 2D morphological transition in the heteroepitaxial growth of metal films by kinetic Monte Carlo simulations, and find that the difference between two types of neighbor interactions play an important role on the film morphology. The difference will vanishes with the film growing up. Just what the difference vanishes causes ...

A self-consistent rate-equation approach to the study of transitions in the critical island size i in submonolayer growth from i51 to i52 and from i51 to i53, corresponding to homoepitaxial growth on metal ~111! and ~100! surfaces, is presented. In contrast to previous standard rate-equation results, the average island density and monomer density are well predicted along with the transition tem...