diff --git a/joss.07424/10.21105.joss.07424.crossref.xml b/joss.07424/10.21105.joss.07424.crossref.xml new file mode 100644 index 0000000000..dcd278559c --- /dev/null +++ b/joss.07424/10.21105.joss.07424.crossref.xml @@ -0,0 +1,201 @@ + + + + 20250128195518-b6aeff7ac968ea5f435222522e1a1a2dde544f97 + 20250128195518 + + JOSS Admin + admin@theoj.org + + The Open Journal + + + + + Journal of Open Source Software + JOSS + 2475-9066 + + 10.21105/joss + https://joss.theoj.org + + + + + 01 + 2025 + + + 10 + + 105 + + + + nleis.py: A Nonlinear Electrochemical Impedance Analysis Toolbox + + + + Yuefan + Ji + + Department of Chemical Engineering & Clean Energy Institute, University of Washington, Seattle, WA, United States of America + + https://orcid.org/0000-0003-1912-767X + + + Matthew D. + Murbach + + Independent Researcher, United States of America + + https://orcid.org/0000-0002-6583-5995 + + + Daniel T. + Schwartz + + Department of Chemical Engineering & Clean Energy Institute, University of Washington, Seattle, WA, United States of America + + https://orcid.org/0000-0003-1173-5611 + + + + 01 + 28 + 2025 + + + 7424 + + + 10.21105/joss.07424 + + + http://creativecommons.org/licenses/by/4.0/ + http://creativecommons.org/licenses/by/4.0/ + http://creativecommons.org/licenses/by/4.0/ + + + + Software archive + 10.5281/zenodo.14606367 + + + GitHub review issue + https://github.com/openjournals/joss-reviews/issues/7424 + + + + 10.21105/joss.07424 + https://joss.theoj.org/papers/10.21105/joss.07424 + + + https://joss.theoj.org/papers/10.21105/joss.07424.pdf + + + + + + Electrochemical impedance spectroscopy + Orazem + 978-0-470-04140-6 + 2008 + Orazem, M. E., & Tribollet, B. (2008). Electrochemical impedance spectroscopy. Wiley. ISBN: 978-0-470-04140-6 + + + Nonlinear electrochemical impedance spectroscopy of lithium-ion batteries: Experimental approach, analysis, and initial findings + Murbach + Journal of The Electrochemical Society + 11 + 165 + 10.1149/2.0711811jes + 0013-4651 + 2018 + Murbach, M. D., Hu, V. W., & Schwartz, D. T. (2018). Nonlinear electrochemical impedance spectroscopy of lithium-ion batteries: Experimental approach, analysis, and initial findings. Journal of The Electrochemical Society, 165(11), A2758–A2765. https://doi.org/10.1149/2.0711811jes + + + Impedance.py: A python package for electrochemical impedance analysis + Murbach + Journal of Open Source Software + 52 + 5 + 10.21105/joss.02349 + 2020 + Murbach, M. D., Gerwe, B., Dawson-Elli, N., & Tsui, L. (2020). Impedance.py: A python package for electrochemical impedance analysis. Journal of Open Source Software, 5(52), 2349. https://doi.org/10.21105/joss.02349 + + + AC impedance technique in PEM fuel cell diagnosis—a review + Yuan + International Journal of Hydrogen Energy + 32 + 10.1016/j.ijhydene.2007.05.036 + 2007 + Yuan, X., Wang, H., Sun, J. C., & Zhang, J. (2007). AC impedance technique in PEM fuel cell diagnosis—a review. International Journal of Hydrogen Energy, 32, 4365–4380. https://doi.org/10.1016/j.ijhydene.2007.05.036 + + + Application of electrochemical impedance spectroscopy to commercial li-ion cells: A review + Meddings + Journal of Power Sources + 480 + 10.1016/j.jpowsour.2020.228742 + 2020 + Meddings, N., Heinrich, M., Overney, F., Lee, J.-S., Ruiz, V., Napolitano, E., Seitz, S., Hinds, G., Raccichini, R., Gaberšček, M., & Park, J. (2020). Application of electrochemical impedance spectroscopy to commercial li-ion cells: A review. Journal of Power Sources, 480, 228742. https://doi.org/10.1016/j.jpowsour.2020.228742 + + + Tables of degenerate electrical networks for use in the equivalent‐circuit analysis of electrochemical systems + Fletcher + Journal of The Electrochemical Society + 141 + 10.1149/1.2055011 + 1994 + Fletcher, S. (1994). Tables of degenerate electrical networks for use in the equivalent‐circuit analysis of electrochemical systems. Journal of The Electrochemical Society, 141, 1823–1826. https://doi.org/10.1149/1.2055011 + + + Extending newman’s pseudo-two-dimensional lithium-ion battery impedance simulation approach to include the nonlinear harmonic response + Murbach + Journal of The Electrochemical Society + 164 + 10.1149/2.0301711jes + 2017 + Murbach, M. D., & Schwartz, D. T. (2017). Extending newman’s pseudo-two-dimensional lithium-ion battery impedance simulation approach to include the nonlinear harmonic response. Journal of The Electrochemical Society, 164, E3311–E3320. https://doi.org/10.1149/2.0301711jes + + + Nonlinear electrochemical impedance spectroscopy for lithium-ion battery model parameterization + Kirk + Journal of The Electrochemical Society + 170 + 10.1149/1945-7111/acada7 + 2023 + Kirk, T. L., Lewis-Douglas, A., Howey, D., Please, C. P., & Chapman, S. J. (2023). Nonlinear electrochemical impedance spectroscopy for lithium-ion battery model parameterization. Journal of The Electrochemical Society, 170, 010514. https://doi.org/10.1149/1945-7111/acada7 + + + Second-harmonic nonlinear electrochemical impedance spectroscopy: Part I. Analytical theory and equivalent circuit representations for planar and porous electrodes + Ji + Journal of The Electrochemical Society + 170 + 10.1149/1945-7111/ad15ca + 2023 + Ji, Y., & Schwartz, D. T. (2023). Second-harmonic nonlinear electrochemical impedance spectroscopy: Part I. Analytical theory and equivalent circuit representations for planar and porous electrodes. Journal of The Electrochemical Society, 170, 123511. https://doi.org/10.1149/1945-7111/ad15ca + + + Second-harmonic nonlinear electrochemical impedance spectroscopy: Part II. Model-based analysis of lithium-ion battery experiments + Ji + Journal of The Electrochemical Society + 171 + 10.1149/1945-7111/ad2596 + 2024 + Ji, Y., & Schwartz, D. T. (2024). Second-harmonic nonlinear electrochemical impedance spectroscopy: Part II. Model-based analysis of lithium-ion battery experiments. Journal of The Electrochemical Society, 171, 023504. https://doi.org/10.1149/1945-7111/ad2596 + + + + + + diff --git a/joss.07424/10.21105.joss.07424.pdf b/joss.07424/10.21105.joss.07424.pdf new file mode 100644 index 0000000000..3db5e0bbe4 Binary files /dev/null and b/joss.07424/10.21105.joss.07424.pdf differ diff --git a/joss.07424/paper.jats/10.21105.joss.07424.jats b/joss.07424/paper.jats/10.21105.joss.07424.jats new file mode 100644 index 0000000000..2f4809a1d3 --- /dev/null +++ b/joss.07424/paper.jats/10.21105.joss.07424.jats @@ -0,0 +1,535 @@ + + +
+ + + + +Journal of Open Source Software +JOSS + +2475-9066 + +Open Journals + + + +7424 +10.21105/joss.07424 + +nleis.py: A Nonlinear Electrochemical Impedance Analysis +Toolbox + + + +https://orcid.org/0000-0003-1912-767X + +Ji +Yuefan + +yuefan@uw.edu + +* + + +https://orcid.org/0000-0002-6583-5995 + +Murbach +Matthew D. + + + + +https://orcid.org/0000-0003-1173-5611 + +Schwartz +Daniel T. + + + + + +Department of Chemical Engineering & Clean Energy +Institute, University of Washington, Seattle, WA, United States of +America + + + + +Independent Researcher, United States of +America + + + + +* E-mail: yuefan@uw.edu + + +20 +10 +2024 + +10 +105 +7424 + +Authors of papers retain copyright and release the +work under a Creative Commons Attribution 4.0 International License (CC +BY 4.0) +2025 +The article authors + +Authors of papers retain copyright and release the work under +a Creative Commons Attribution 4.0 International License (CC BY +4.0) + + + +Python +impedance.py +Electrochemistry +EIS +NLEIS +2nd-NLEIS +Lithium-ion Batteries +Fuel Cells + + + + +

Building on the growing adoption of impedance.py +(Murbach +et al., 2020) as an open-source software tool within the +electrochemical impedance spectroscopy (EIS) community, nleis.py is a +toolbox for impedance.py that aims to provide an easily accessible tool +to perform second harmonic nonlinear EIS (2nd-NLEIS) analysis, with the +ability to extend to higher harmonic analysis in the future. The toolbox +is designed with impedance.py in mind to minimize the learning curve for +users. It inherits the basic functionality of impedance.py, introduces +paired linear and 2nd-harmonic nonlinear circuit elements, and enables +the simultaneous analysis of EIS and 2nd-NLEIS. With this toolbox, one +can choose to individually analyze an EIS or 2nd-NLEIS spectra or +perform simultaneous parameter estimation of linear and nonlinear +impedance data using an impedance.py workflow. Ultimately, the nleis.py +toolbox will be integrated into impedance.py as adoption grows, while +maintaining the standalone version of nleis.py as a platform to develop +advanced features as the field matures.

+ + Background +

Electrochemical impedance spectroscopy (EIS) is a widely accepted + electroanalytical method that is often used to characterize engineered + electrochemical systems like fuel cells + (Yuan + et al., 2007) and lithium-ion batteries (LIBs) + (Meddings + et al., 2020). EIS experiments and modeling require + linearization of system response, leading to unavoidable information + loss and model degeneracy challenges in real-world nonlinear + electrochemical processes + (Fletcher, + 1994; + Orazem + & Tribollet, 2008). Second-harmonic nonlinear + electrochemical impedance spectroscopy (2nd-NLEIS) is emerging as a + powerful and complementary tool to EIS in lithium-ion battery + research. 2nd-NLEIS uses a moderately larger input modulation than + conventional EIS to drive the electrochemical system into the weakly + nonlinear regime where the fundamental frequency continues to + represent the linear system response, and a small additional + 2nd-harmonic signal adds key new information about the nonlinear + dynamics of the interfaces under study + (Murbach + et al., 2018). Analyzing a 2nd-NLEIS signal unavoidably + complicates the mathematical modeling compared to linear system + theory, but it also provides a sensible way to break EIS degeneracy + and generate key new insights into charge transfer, transport, and + thermodynamic parameters that are inaccessible to linear EIS alone. + Early work with the pseudo-two-dimensional (P2D) LIB model provided + the first physical insights into the potential value of 2nd-NLEIS + signals for battery research + (Murbach + & Schwartz, 2017), whereas quantitative parameter + estimation of 2nd-NLEIS experiments has required adoption of + physically-insightful reduced order models, such as Kirk et al.’s work + developing a nonlinear single particle model (SPM) + (Kirk + et al., 2023), and our work defining nonlinear Randles circuit + (RC) and porous electrode models (PEM) + (Ji + & Schwartz, 2023).

+ + + Statement of Need +

As an emerging technique requiring nonlinear dynamic modeling to + analyze experimental data, 2nd-NLEIS method adoption is slowed by a + lack of commercial or open-source software for parameter estimation + from experiments, even though NLEIS experiments can be performed with + EIS equipment offered by several vendors + (Murbach + et al., 2018). Within the linear EIS community, the adoption of + an open-source impedance.py equivalent circuit modeling workflow has + successfully facilitated reproducible, easy-to-use, and transparent + impedance analysis that supports an active community of users. By + introducing nonlinear equivalent circuit modeling through nleis.py, we + seek to enhance the accessibility of this powerful new technique with + a streamlined data analysis pipeline that researchers are already + familiar with, hence accelerating the co-development of theory and + experiments. Moreover, there is neither a research nor industry + standard platform available to measure and analyze 2nd-NLEIS. + Consequently, we aim to use nleis.py as a starting point to establish + 2nd-NLEIS measurements and analysis best-practices while working in + concert with the impedance.py user community.

+ + + Naming Conventions and Parameter Assignments +

The linear and second harmonic nonlinear circuit elements are + defined in a pair with an addition of ‘n’ after the nonlinear circuit + element to facilitate the simultaneous analysis of linear and + nonlinear impedance response. Additionally, because of the nature of + the nonlinear response, the simplest possible circuit element is a + wrapper Randles circuit (RC) rather than the Resistor (R) and + capacitor (C) element defined in impedance.py. For example, the linear + and nonlinear Randles circuits are defined in pairs as RC and RCn + respectively. Lastly, parameter assignments should follow a convention + that first defines the linear parameters of a model + ( + + p1) + then the nonlinear parameters ( + + p2). + For the RC circuit as an example, RC should only take + [ + + p1] + as parameter inputs, while RCn should take + [ + + p1, + + + p2] + as parameter inputs, as described in + (Ji + & Schwartz, 2023).

+ + + Current nleis.py Functionalities + + Nonlinear Equivalent Circuit Fitting +

The 2nd-harmonic nonlinear Equivalent Circuit Fitting is + accomplished with NLEISCustomCircuit. It + inherits most features from the impedance.py + CustomCircuit, but provides an extra level of + flexibility for performing NLEIS specific tasks. Overall, the users + should expect the same workflow as impedance.py.

+ + + Simultaneous Equivalent Circuit Fitting of EIS and + 2nd-NLEIS +

EISandNLEIS is the key feature of nleis.py + that enables the simultaneous analysis of EIS and 2nd-NLEIS with + equivalent circuit modeling. The visual representation of nonlinear + equivalent circuit representation can be found in + (Ji + & Schwartz, 2023). Everything works like impedance.py, + but the users should provide the correct pair of linear and + nonlinear circuit strings with a single initial guess that is + consistent with both linear and nonlinear circuit features seen in + the data. For EIS and 2nd-NLEIS data with known error structure or + relative magnitudes, the users can also specify the optimization, + weighting, and normalization method for the EIS and 2nd-NLEIS data + parameter estimation process, as introduced in + (Ji + & Schwartz, 2024; + Kirk + et al., 2023).

+ + + Visualization +

The user can choose to use the plotting function in impedance.py + or a customized plotting function for EIS (plot_first) and 2nd-NLEIS + (plot_second) to get a correctly labeled Nyquist plot.

+ + + Nonlinear Circuit Elements +

nleis.py supports a variety of linear and 2nd harmonic nonlinear + circuit element pairs from simple Randles circuits to analytical + porous electrode and numerical transmission line models. These + models all rely on the foundation of the analytical theory developed + by + (Ji + & Schwartz, 2023) for Randles and porous electrodes. Just + like impedance.py, nleis.py supports manual element definition. If + you want your model to be included in future releases, + create + an issue on GitHub with your models to contribute to the + project.

+ + + + Side-by-Side Comparison between impedance.py and nleis.py + API +

nleis.py comes with detailed documentation with examples and + concepts for new users to + get + started. For existing impedance.py users, we expect this + side-by-side comparison between impedance.py and nleis.py can reduce + barriers for extending your impedance analysis to the weakly nonlinear + regime.

+ +

Side-by-side comparison between + impedance.py and + nleis.py API

+ + + + + Future nleis.py Functionalities + + Data Processing +

There is only a simple data processing function for frequency + domain data truncation now. We hope to include data processing and + conversion from either time or frequency domain data in the future + (i.e. FFT capability for time domain data). If you have equipment + that allows you to perform 2nd-NLEIS and wish it to be compatible + with nleis.py, + create + an issue with a sample file to help the advancement of + 2nd-NLEIS.

+ + + Data Validation +

Unlike EIS, which already has a set of well-established + validation methods available, there is not yet a standard set of + tools to quickly validate the causality and stationarity + requirements of 2nd-NLEIS data. We are actively working on the + development of such a data validation method, which will be + incorporated in the future. If you have a new method for 2nd-NLEIS + validation, we are also interested in including it in the future + after it is peer reviewed and published. + Create + an issue or + submit + a pull request to initiate review for inclusion.

+ + + Easily Extendable to Higher Harmonics +

Though the analysis of harmonics greater than the second are not + yet implemented here, there is no restriction for higher harmonic + circuit element definitions. A general consideration for higher + harmonics is to avoid numbers in the definition of raw circuit + elements. Higher harmonics definitions are expected to follow the + Naming Conventions and Parameter Assignments section above.

+ + + Contribute to the Project +

In general, 2nd-NLEIS is a novel technique for electrochemical + science and engineering research and development. Many areas + familiar to EIS analysts are not fully developed for nonlinear + systems. If you are publishing theoretical or experimental work that + is advancing the field and would like to disseminate it as software + others can use as part of nleis.py, we encourage you to + create + an issue on GitHub and become a contributor to + nleis.py.

+ + + + Acknowledgments +

This work has been supported by funding from State of Washington + proviso funding for Clean Energy Institute Graduate Fellowships and + the Boeing-Sutter endowment for excellence in engineering. We thank + An-Hung Shih, Lauren Frank, and Rebecca C. Vincent for their + preliminary testing and invaluable feedback. An up-to-date list of + contributors can be found on + GitHub.

+ + + + + + + + + OrazemMark E. + TribolletBernard + + Electrochemical impedance spectroscopy + Wiley + Hoboken, N.J + 2008 + 978-0-470-04140-6 + + + + + + MurbachMatthew D. + HuVictor W. + SchwartzDaniel T. + + Nonlinear electrochemical impedance spectroscopy of lithium-ion batteries: Experimental approach, analysis, and initial findings + Journal of The Electrochemical Society + 2018 + 20181226 + 165 + 11 + 0013-4651 + https://iopscience.iop.org/article/10.1149/2.0711811jes + 10.1149/2.0711811jes + A2758 + A2765 + + + + + + MurbachMatthew D. + GerweBrian + Dawson-ElliNeal + TsuiLok-kun + + Impedance.py: A python package for electrochemical impedance analysis + Journal of Open Source Software + The Open Journal + 2020 + 5 + 52 + https://doi.org/10.21105/joss.02349 + 10.21105/joss.02349 + 2349 + + + + + + + YuanXiaozi + WangHaijiang + SunJian Colin + ZhangJiujun + + AC impedance technique in PEM fuel cell diagnosis—a review + International Journal of Hydrogen Energy + Elsevier + 2007 + 32 + https://www.sciencedirect.com/science/article/pii/S036031990700328X + 10.1016/j.ijhydene.2007.05.036 + 4365 + 4380 + + + + + + MeddingsNina + HeinrichMarco + OverneyFrédéric + LeeJong-Sook + RuizVanesa + NapolitanoEmilio + SeitzSteffen + HindsGareth + RaccichiniRinaldo + GaberščekMiran + ParkJuyeon + + Application of electrochemical impedance spectroscopy to commercial li-ion cells: A review + Journal of Power Sources + Elsevier + 2020 + 480 + https://www.sciencedirect.com/science/article/pii/S0378775320310466 + 10.1016/j.jpowsour.2020.228742 + 228742 + + + + + + + FletcherStephen + + Tables of degenerate electrical networks for use in the equivalent‐circuit analysis of electrochemical systems + Journal of The Electrochemical Society + 1994 + 141 + https://iopscience.iop.org/article/10.1149/1.2055011 + 10.1149/1.2055011 + 1823 + 1826 + + + + + + MurbachMatthew D. + SchwartzDaniel T. + + Extending newman’s pseudo-two-dimensional lithium-ion battery impedance simulation approach to include the nonlinear harmonic response + Journal of The Electrochemical Society + 2017 + 164 + https://iopscience.iop.org/article/10.1149/2.0301711jes + 10.1149/2.0301711jes + E3311 + E3320 + + + + + + KirkToby L. + Lewis-DouglasAdam + HoweyDavid + PleaseColin P. + ChapmanS. Jon + + Nonlinear electrochemical impedance spectroscopy for lithium-ion battery model parameterization + Journal of The Electrochemical Society + 2023 + 170 + https://iopscience.iop.org/article/10.1149/1945-7111/acada7 + 10.1149/1945-7111/acada7 + 010514 + + + + + + + JiYuefan + SchwartzDaniel T. + + Second-harmonic nonlinear electrochemical impedance spectroscopy: Part I. Analytical theory and equivalent circuit representations for planar and porous electrodes + Journal of The Electrochemical Society + 2023 + 170 + https://iopscience.iop.org/article/10.1149/1945-7111/ad15ca + 10.1149/1945-7111/ad15ca + 123511 + + + + + + + JiYuefan + SchwartzDaniel T. + + Second-harmonic nonlinear electrochemical impedance spectroscopy: Part II. Model-based analysis of lithium-ion battery experiments + Journal of The Electrochemical Society + 2024 + 171 + http://iopscience.iop.org/article/10.1149/1945-7111/ad2596 + 10.1149/1945-7111/ad2596 + 023504 + + + + + +
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