Summary of Dynamic Lattice First-Passage Kinetic Monte Carlo

نویسندگان

  • Ava Mauro
  • Paul Atzberger
چکیده

1 A First-Passage Kinetic Monte Carlo Method for Stochastic Reaction-Drift-Diffusion Systems [20, 19] 1 1.1 Biological Motivation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1.2 Mathematical Background . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 1.3 Motivation and Methodology for Incorporating Drift into the FPKMC method 2 1.4 DL-FPKMC Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

A First-Passage Kinetic Monte Carlo method for reaction-drift-diffusion processes

Stochastic reaction-diffusion models are now a popular tool for studying physical systems in which both the explicit diffusion of molecules and noise in the chemical reaction process play important roles. The Smoluchowski diffusion-limited reaction model (SDLR) is one of several that have been used to study biological systems. Exact realizations of the underlying stochastic processes described ...

متن کامل

Diffusion - limited reactions and mortal random walkers in confined geometries

Motivated by the diffusion-reaction kinetics on interstellar dust grains, we study a first-passage problem of mortal random walkers in a confined two-dimensional geometry. We provide an exact expression for the encounter probability of two walkers, which is evaluated in limiting cases and checked against extensive kinetic Monte Carlo simulations. We analyze the continuum limit which is approach...

متن کامل

Kinetic Monte Carlo Simulation of Oxalic Acid Ozonationover Lanthanum-based Perovskitesas Catalysts

Kinetic Monte Carlo simulation was applied to investigation of kinetics and mechanism of oxalic acid degradation by direct and heterogeneous catalytic ozonation. La-containing perovskites including LaFeO3, LaNiO3, LaCoO3 and LaMnO3 was studied as catalyst for oxalic acid ozonation. The reaction kinetic mechanisms of each abovementioned catalytic systems has been achieved. The rate constants val...

متن کامل

Multifractals of Normalized First Passage Time in Sierpinski Gasket

The multifractal behavior of the normalized first passage time is investigated on the two dimensional Sierpinski gasket with both absorbing and reflecting barriers. The normalized first passage time for Sinai model and the logistic model to arrive at the absorbing barrier after starting from an arbitrary site, especially obtained by the calculation via the Monte Carlo simulation, is discussed n...

متن کامل

First-passage time approach to kinetic Monte Carlo simulations of metal (100) growth

A first-passage-time FPT approach to accelerate kinetic Monte Carlo KMC simulations of metal 100 epitaxial growth with fast edge diffusion is described. In our approach, the process of singly-bonded edge diffusion is replaced by a calculation of the first-passage time for an edge diffuser to be absorbed either by corner rounding or kink attachment, while the remaining activated processes are tr...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2014