کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
6933000 | 867589 | 2014 | 32 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A First-Passage Kinetic Monte Carlo method for reaction-drift-diffusion processes
ترجمه فارسی عنوان
یک روش مین کارلو سینتیکی برای عبور واکنش-راندگی-پروسه انتشار
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی کامپیوتر
نرم افزارهای علوم کامپیوتر
چکیده انگلیسی
In this work we extend the FPKMC to allow for drift arising from fixed, background potentials. As the corresponding Fokker-Planck equations that describe the motion of each molecule can no longer be solved analytically, we develop a hybrid method that discretizes the protective domains. The discretization is chosen so that the drift-diffusion of each molecule within its protective domain is approximated by a continuous-time random walk on a lattice. New lattices are defined dynamically as the protective domains are updated, hence we will refer to our method as Dynamic Lattice FPKMC or DL-FPKMC. We focus primarily on the one-dimensional case in this manuscript, and demonstrate the numerical convergence and accuracy of our method in this case for both smooth and discontinuous potentials. We also present applications of our method, which illustrate the impact of drift on reaction kinetics.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Computational Physics - Volume 259, 15 February 2014, Pages 536-567
Journal: Journal of Computational Physics - Volume 259, 15 February 2014, Pages 536-567
نویسندگان
Ava J. Mauro, Jon Karl Sigurdsson, Justin Shrake, Paul J. Atzberger, Samuel A. Isaacson,