相关论文: Reaction-controlled diffusion: Monte Carlo simulat…
We study diffusion-limited coalescence, A+A<-->A, in one dimension, in the presence of a diffusing trap. The system may be regarded as a generalization of von Smoluchowski's model for reaction rates, in that: (a) it includes reactions…
Rate-equation models are a widely-used and inexpensive tool for the simulation of interstellar chemistry under a range of physical conditions. However, their application to grain-surface chemical systems necessitates a number of simplifying…
A diffusion Monte Carlo algorithm is introduced that can determine the correct nodal structure of the wave function of a few-fermion system and its ground-state energy without an uncontrolled bias. This is achieved by confining signed…
A non-equilibrium thermodynamics model able to analyze the combined effect of diffusion and adsorption in porous materials is proposed. The model considers the coupled dynamics of the diffusive phase, described by a diffusion type equation,…
We propose a modification, based on the RESTART (repetitive simulation trials after reaching thresholds) and DPR (dynamics probability redistribution) rare event simulation algorithms, of the standard diffusion Monte Carlo (DMC) algorithm.…
Dynamical reaction-diffusion processes and meta-population models are standard modeling approaches for a wide variety of phenomena in which local quantities - such as density, potential and particles - diffuse and interact according to the…
Specialized Monte Carlo simulation techniques and moment free energy method calculations, capable of treating fractionation exactly, are deployed to study the crystalline phase behaviour of an assembly of spherical particles described by a…
A one-dimensional model on a line of the length L is investigated, which involves particle diffusion as well as single particle annihilation. There are also creation and annihilation at the boundaries. The static and dynamical behaviors of…
This paper is concerned with reaction-diffusion systems of two symmetric species in spatial dimension one, having two stable symmetric equilibria connected by a symmetric standing front. The first order variation of the speed of this front…
This work presents algebraic closure models associated with advective transport and nonlinear reactions in a Reynolds-averaged Navier-Stokes context for a system of species subject to binary reactions and transport by advection and…
Reaction-diffusion equations are widely used as the governing evolution equations for modeling many physical, chemical, and biological processes. Here we derive reaction-diffusion equations to model transport with reactions on a…
We investigate non-equilibrium critical phenomena using a nonperturbative renormalization group method. Reaction-diffusion processes are described by a scale dependent effective action which evolution is governed by very generic flow…
We study a stochastic system of $N$ interacting particles which models bimolecular chemical reaction-diffusion. In this model, each particle $i$ carries two attributes: the spatial location $X_t^i\in \mathbb{T}^d$, and the type $\Xi_t^i\in…
Recently Carlon et. al. investigated the critical behavior of the pair contact process with diffusion [cond-mat/9912347]. Using density matrix renormalization group methods, they estimate the critical exponents, raising the possibility that…
Different branching and annihilating random walk models are investigated by cluster mean-field method and simulations in one and two dimensions. In case of the A -> 2A, 2A -> 0 model the cluster mean-field approximations show diffusion…
The statistics of equally weighted random paths (ideal polymer) is studied in $2$ and $3$ dimensional percolating clusters. This is equivalent to diffusion in the presence of a trapping environment. The number of $N$ step walks follows a…
I did off-lattice 3D Monte Carlo simulations for polymer translocation through a narrow pore at low external field, trying to be as close to a direct approach as possible. The process was found non equilibrium globally, but dynamics of the…
Diffusion is often accompanied by a reaction or sorption which can induce temperature inhomogeneities. Monte Carlo simulations of Lennard-Jones atoms in zeolite NaCaA are reported with a hot zone presumed to be created by a reaction. Our…
By considering the master equation of the totally asymmetric exclusion process on a one-dimensional lattice and using two types of boundary conditions (i.e. interactions), two new families of the multi-species reaction-diffusion processes,…
Subdiffusion with reaction $A+B\rightarrow B$ is considered in a system which consists of two homogeneous media joined together; the $A$ particles are mobile whereas $B$ are static. Subdiffusion and reaction parameters, which are assumed to…