Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Building reliable lattice Monte Carlo models for real drift and diffusion problems.

Michel G Gauthier1, Gary W Slater

  • 1Department of Physics, University of Ottawa, 150 Louis-Pasteur, Ottawa, Ontario, Canada. mgauthie@science.uottawa.ca

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|August 25, 2004
PubMed
Summary

Common Monte Carlo algorithms fail to accurately model drift-diffusion systems with driving fields. Ensuring proper diffusion coefficient conservation requires fluctuating jump times or direction-specific clocks.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Imperfect single-file diffusion of polymer chains: A phase diagram.

Physical review. E·2025
Same author

Ratcheting Charged Polymers through Symmetric Nanopores Using Pulsed Fields: Designing a Low Pass Filter for Concentrating Polyelectrolytes.

Nano letters·2023
Same author

Electrophoretic Mobility of Polyelectrolytes within a Confining Well.

ACS macro letters·2022
Same author

Capture and translocation of a rod-like molecule by a nanopore: orientation, charge distribution and hydrodynamics.

Physical chemistry chemical physics : PCCP·2022
Same author

An efficient kinetic Monte Carlo to study analyte capture by a nanopore: transients, boundary conditions and time-dependent fields.

Physical chemistry chemical physics : PCCP·2021
Same author

Capture of rod-like molecules by a nanopore: Defining an "orientational capture radius".

The Journal of chemical physics·2020

Area of Science:

  • Physics
  • Computational Science
  • Statistical Mechanics

Background:

  • Drift-diffusion systems are fundamental in various scientific fields.
  • Lattice random-walk models are often used to simulate these systems.
  • Existing Monte Carlo algorithms face challenges in accurately representing these systems.

Purpose of the Study:

  • To analyze the accuracy of Monte Carlo algorithms for simulating overdamped drift-and-diffusion systems.
  • To identify limitations of common algorithms in conserving the diffusion coefficient.
  • To explore conditions for valid random-walk model construction.

Main Methods:

  • Revisiting the representation of overdamped drift-and-diffusion systems using lattice random-walk models.
  • Analyzing the behavior of commonly used Monte Carlo algorithms.

Related Experiment Videos

  • Investigating the requirements for accurate diffusion coefficient conservation under driving fields.

    • Main Results:

    • Common Monte Carlo algorithms fail to conserve the diffusion coefficient with arbitrary driving fields.
    • Accurate simulations necessitate fluctuating jumping times or dedicated clocks per direction.
    • Valid fixed time-step algorithms are restricted in dimensionality and jump strategy.

    Conclusions:

    • Standard Monte Carlo methods are insufficient for accurately simulating drift-diffusion systems with driving fields.
    • Algorithmic modifications are crucial for preserving diffusion coefficients in these models.
    • Dimensionality and jump axis limitations impact the applicability of certain random-walk algorithms.