https://github.com/llnl/echemfem

Finite Element Method for Electrochemical Transport (EchemFEM)
https://github.com/llnl/echemfem

discontinuous-galerkin electrochemistry finite-element-method firedrake python

Last synced: 5 months ago
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Finite Element Method for Electrochemical Transport (EchemFEM)

• Host: GitHub
• URL: https://github.com/llnl/echemfem
• Owner: LLNL
• License: mit
• Created: 2022-07-13T16:49:21.000Z (almost 3 years ago)
• Default Branch: main
• Last Pushed: 2024-08-27T18:56:46.000Z (8 months ago)
• Last Synced: 2024-09-16T22:05:10.342Z (7 months ago)
• Topics: discontinuous-galerkin, electrochemistry, finite-element-method, firedrake, python
• Language: Python
• Homepage:
• Size: 604 KB
• Stars: 20
• Watchers: 8
• Forks: 5
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • Contributing: CONTRIBUTING.md
  • License: LICENSE
  • Code of conduct: CODE_OF_CONDUCT.md

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README

        
# EchemFEM

[![DOI](https://zenodo.org/badge/513600791.svg)](https://zenodo.org/badge/latestdoi/513600791)

[![DOI](https://joss.theoj.org/papers/10.21105/joss.06531/status.svg)](https://doi.org/10.21105/joss.06531)

This code provides Finite Element solvers for electrochemical transport.

Both continuous Galerkin (CG) and discontinuous Galerkin (DG) schemes are provided. The DG scheme for electroneutral Nernst-Planck is described in [Roy et al., 2023](https://doi.org/10.1016/j.jcp.2022.111859). The CG scheme uses SUPG for the advection-migration term.

The following transport mechanisms are available: diffusion, advection, electromigration. EchemFEM supports both non-porous and porous cases. The ionic potential can either be described using an electroneutrality constraint or a Poisson equation. In the porous case, the electronic potential can be described by a Poisson equation.

Some finite size effects are also implemented. For example, the generalized modified Poisson-Nernst-Planck model (GMPNP) is used in the examples of [FireCat](https://github.com/LLNL/firecat), coupling in with a microkinetics model.

LLNL-CODE-837342

## Documentation

User guide and API documentation can be found here [documentation](https://software.llnl.gov/echemfem/index.html).

## Installation

Please install the open-source finite element library [Firedrake](https://www.firedrakeproject.org/download.html).

To install EchemFEM, simply run the following in the parent echemfem folder:

```

pip install -e .

```

The documentation has more details about installation and running the code.