skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


Title: Integral equation method for the 1D steady-state Poisson-Nernst-Planck equations
Abstract An integral equation method is presented for the 1D steady-state Poisson-Nernst-Planck equations modeling ion transport through membrane channels. The differential equations are recast as integral equations using Green’s 3rd identity yielding a fixed-point problem for the electric potential gradient and ion concentrations. The integrals are discretized by a combination of midpoint and trapezoid rules, and the resulting algebraic equations are solved by Gummel iteration. Numerical tests for electroneutral and non-electroneutral systems demonstrate the method’s 2nd order accuracy and ability to resolve sharp boundary layers. The method is applied to a 1D model of the K$$^+$$ +  ion channel with a fixed charge density that ensures cation selectivity. In these tests, the proposed integral equation method yields potential and concentration profiles in good agreement with published results.  more » « less
Award ID(s):
1819193 2110869 2110767 1819094
PAR ID:
10465323
Author(s) / Creator(s):
; ;
Publisher / Repository:
Springer Science + Business Media
Date Published:
Journal Name:
Journal of Computational Electronics
Volume:
22
Issue:
5
ISSN:
1569-8025
Format(s):
Medium: X Size: p. 1396-1408
Size(s):
p. 1396-1408
Sponsoring Org:
National Science Foundation
More Like this
  1. Abstract We give sharp conditions for the large time asymptotic simplification of aggregation-diffusion equations with linear diffusion. As soon as the interaction potential is bounded and its first and second derivatives decay fast enough at infinity, then the linear diffusion overcomes its effect, either attractive or repulsive, for large times independently of the initial data, and solutions behave like the fundamental solution of the heat equation with some rate. The potential$$W(x) \sim \log |x|$$ W ( x ) log | x | for$$|x| \gg 1$$ | x | 1 appears as the natural limiting case when the intermediate asymptotics change. In order to obtain such a result, we produce uniform-in-time estimates in a suitable rescaled change of variables for the entropy, the second moment, Sobolev norms and the$$C^\alpha $$ C α regularity with a novel approach for this family of equations using modulus of continuity techniques. 
    more » « less
  2. Abstract We study the singular set in the thin obstacle problem for degenerate parabolic equations with weight$$|y|^a$$ | y | a for$$a \in (-1,1)$$ a ( - 1 , 1 ) . Such problem arises as the local extension of the obstacle problem for the fractional heat operator$$(\partial _t - \Delta _x)^s$$ ( t - Δ x ) s for$$s \in (0,1)$$ s ( 0 , 1 ) . Our main result establishes the complete structure and regularity of the singular set of the free boundary. To achieve it, we prove Almgren-Poon, Weiss, and Monneau type monotonicity formulas which generalize those for the case of the heat equation ($$a=0$$ a = 0 ). 
    more » « less
  3. Abstract We introduce a family of Finsler metrics, called the$$L^p$$ L p -Fisher–Rao metrics$$F_p$$ F p , for$$p\in (1,\infty )$$ p ( 1 , ) , which generalizes the classical Fisher–Rao metric$$F_2$$ F 2 , both on the space of densities$${\text {Dens}}_+(M)$$ Dens + ( M ) and probability densities$${\text {Prob}}(M)$$ Prob ( M ) . We then study their relations to the Amari–C̆encov$$\alpha $$ α -connections$$\nabla ^{(\alpha )}$$ ( α ) from information geometry: on$${\text {Dens}}_+(M)$$ Dens + ( M ) , the geodesic equations of$$F_p$$ F p and$$\nabla ^{(\alpha )}$$ ( α ) coincide, for$$p = 2/(1-\alpha )$$ p = 2 / ( 1 - α ) . Both are pullbacks of canonical constructions on$$L^p(M)$$ L p ( M ) , in which geodesics are simply straight lines. In particular, this gives a new variational interpretation of$$\alpha $$ α -geodesics as being energy minimizing curves. On$${\text {Prob}}(M)$$ Prob ( M ) , the$$F_p$$ F p and$$\nabla ^{(\alpha )}$$ ( α ) geodesics can still be thought as pullbacks of natural operations on the unit sphere in$$L^p(M)$$ L p ( M ) , but in this case they no longer coincide unless$$p=2$$ p = 2 . Using this transformation, we solve the geodesic equation of the$$\alpha $$ α -connection by showing that the geodesic are pullbacks of projections of straight lines onto the unit sphere, and they always cease to exists after finite time when they leave the positive part of the sphere. This unveils the geometric structure of solutions to the generalized Proudman–Johnson equations, and generalizes them to higher dimensions. In addition, we calculate the associate tensors of$$F_p$$ F p , and study their relation to$$\nabla ^{(\alpha )}$$ ( α )
    more » « less
  4. Abstract We prove that the solutions to the discrete nonlinear Schrödinger equation with non-local algebraically decaying coupling converge strongly in$$L^2({\mathbb {R}}^2)$$ L 2 ( R 2 ) to those of the continuum fractional nonlinear Schrödinger equation, as the discretization parameter tends to zero. The proof relies on sharp dispersive estimates that yield the Strichartz estimates that are uniform in the discretization parameter. An explicit computation of the leading term of the oscillatory integral asymptotics is used to show that the best constants of a family of dispersive estimates blow up as the non-locality parameter$$\alpha \in (1,2)$$ α ( 1 , 2 ) approaches the boundaries. 
    more » « less
  5. Abstract The Markoff graphs modulopwere proven by Chen (Ann Math 199(1), 2024) to be connected for all but finitely many primes, and Baragar (The Markoff equation and equations of Hurwitz. Brown University, 1991) conjectured that they are connected for all primes, equivalently that every solution to the Markoff equation moduloplifts to a solution over$$\mathbb {Z}$$ Z . In this paper, we provide an algorithmic realization of the process introduced by Bourgain et al. [arXiv:1607.01530] to test whether the Markoff graph modulopis connected for arbitrary primes. Our algorithm runs in$$o(p^{1 + \epsilon })$$ o ( p 1 + ϵ ) time for every$$\epsilon > 0$$ ϵ > 0 . We demonstrate this algorithm by confirming that the Markoff graph modulopis connected for all primes less than one million. 
    more » « less