EchemFEM

EchemFEM: A Firedrake-based Python package for electrochemical transport - Published in JOSS (2024)

https://github.com/llnl/echemfem

Science Score: 98.0%

This score indicates how likely this project is to be science-related based on various indicators:

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CITATION.cff file
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codemeta.json file
Found codemeta.json file
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.zenodo.json file
Found .zenodo.json file
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DOI references
Found 10 DOI reference(s) in README and JOSS metadata
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Academic publication links
Links to: joss.theoj.org, zenodo.org
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Committers with academic emails
5 of 5 committers (100.0%) from academic institutions
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Institutional organization owner
Organization llnl has institutional domain (software.llnl.gov)
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JOSS paper metadata
Published in Journal of Open Source Software

Keywords

discontinuous-galerkin electrochemistry finite-element-method firedrake python

Last synced: 4 months ago · JSON representation

Repository

Finite Element Method for Electrochemical Transport (EchemFEM)

Basic Info

Host: GitHub
Owner: LLNL
License: mit
Language: Python
Default Branch: main
Homepage:
Size: 668 KB

Statistics

Stars: 24
Watchers: 7
Forks: 5
Open Issues: 0
Releases: 2

Topics

discontinuous-galerkin electrochemistry finite-element-method firedrake python

Created over 3 years ago · Last pushed 6 months ago

Metadata Files

Readme Contributing License Code of conduct

EchemFEM

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. 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, coupling in with a microkinetics model.

LLNL-CODE-837342

Documentation

User guide and API documentation can be found here documentation.

Installation

Please install the open-source finite element library Firedrake.

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.

Citing

To cite EchemFEM, please cite the JOSS paper. For the DG discretization, please cite the JCP paper.

Owner

Name: Lawrence Livermore National Laboratory
Login: LLNL
Kind: organization
Email: github-admin@llnl.gov
Location: Livermore, CA, USA

Website: https://software.llnl.gov
Twitter: LLNL_OpenSource
Repositories: 520
Profile: https://github.com/LLNL

For over 70 years, the Lawrence Livermore National Laboratory has applied science and technology to make the world a safer place.

JOSS Publication

EchemFEM: A Firedrake-based Python package for electrochemical transport

Published

May 31, 2024

DOI

10.21105/joss.06531

Volume 9, Issue 97, Page 6531