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Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
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Updated: Jan 10, 2026

Harmonic Nanoparticles for Regenerative Research
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Positivity-Preserving Hybridizable Discontinuous Galerkin Scheme for Solving PNP Model.

Diana Morales1, Zhiliang Xu1

  • 1Department of Applied and Computational Mathematics and Statistics, University of Notre Dame, Notre Dame, IN 46556, USA.

Entropy (Basel, Switzerland)
|November 26, 2025
PubMed
Summary

We developed a new numerical method, the hybridizable discontinuous Galerkin (HDG) scheme, for solving Poisson-Nernst-Planck (PNP) equations. This energy-stable and mass-conserving method accurately simulates charged particle transport.

Keywords:
Poisson-Nernst-Planck equationenergy stabilityhybridizable disconinuous Galerkinpositivity preserving

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Area of Science:

  • Computational physics
  • Applied mathematics
  • Numerical analysis

Background:

  • The Poisson-Nernst-Planck (PNP) equations are fundamental for modeling charge transport and electrokinetic phenomena.
  • Ensuring positivity of charged particle densities is crucial for physical realism in simulations.
  • Existing numerical schemes may face challenges with stability and conservation properties.

Purpose of the Study:

  • To introduce a novel hybridizable discontinuous Galerkin (HDG) scheme for the Poisson-Nernst-Planck (PNP) equations.
  • To ensure the positivity of charged particle densities using a log-density formulation.
  • To prove the energy stability and mass conservation of the proposed fully discrete scheme.

Main Methods:

  • Utilized the log-density formulation from Metti et al. (2016) to maintain positivity.
  • Developed a hybridizable discontinuous Galerkin (HDG) discretization for the PNP equations.
  • Proved theoretical properties of the fully discrete scheme, including energy stability and mass conservation.

Main Results:

  • Successfully derived and formulated a hybridizable discontinuous Galerkin (HDG) scheme for the PNP equations.
  • Demonstrated the energy stability and mass conservation of the fully discrete scheme.
  • Numerical simulations in 1D and 2D confirmed the accuracy of the proposed scheme.

Conclusions:

  • The introduced HDG scheme provides a robust and accurate method for solving PNP equations.
  • The log-density formulation effectively ensures the positivity of particle densities.
  • The scheme's energy stability and mass conservation properties are theoretically proven and numerically validated.