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Title: Volume-Averaged Electrochemical Performance Modeling of 3D Interpenetrating Battery Electrode Architectures

Abstract

Recent advancements in micro-scale additive manufacturing techniques have created opportunities for design of novel electrode geometries that improve battery performance by deviating from the traditional layered battery design. These 3D batteries typically exhibit interpenetrating anode and cathode materials throughout the design space, but the existing well-established porous electrode theory models assume only one type of electrode is present in each battery layer. We therefore develop and demonstrate a multi-electrode volume-averaged electrochemical transport model to simulate transient discharge performance of these new interpenetrating electrode architectures. We implement the new reduced-order model in the PETSc framework and asses its accuracy by comparing predictions to corresponding mesoscale-resolved simulations that are orders of magnitude more computationally-intensive. For simple electrode designs such as alternating plates or cylinders, the volume-averaged model predicts performance within ~2% for electrode feature sizes comparable to traditional particle sizes (5-10μm) at discharge rates up to 3C. When considering more complex geometries such as minimal surface designs (i.e. gyroid, Schwarz P), we show that using calibrated characteristic diffusion lengths for each design results in errors below 3% for discharge rates up to 3C. These comparisons verify that this novel model has made reliable cell-scale simulations of interpenetrating electrode designs possible.

Authors:
ORCiD logo; ; ORCiD logo;
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1564576
Alternate Identifier(s):
OSTI ID: 1570283
Report Number(s):
SAND-2019-11500J
Journal ID: ISSN 0013-4651; /jes/167/1/013507.atom
Grant/Contract Number:  
AC04-94AL85000
Resource Type:
Published Article
Journal Name:
Journal of the Electrochemical Society
Additional Journal Information:
Journal Name: Journal of the Electrochemical Society Journal Volume: 167 Journal Issue: 1; Journal ID: ISSN 0013-4651
Publisher:
The Electrochemical Society
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE

Citation Formats

Trembacki, Bradley L., Vadakkepatt, Ajay, Roberts, Scott A., and Murthy, Jayathi Y. Volume-Averaged Electrochemical Performance Modeling of 3D Interpenetrating Battery Electrode Architectures. United States: N. p., 2019. Web. doi:10.1149/2.0072001JES.
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Trembacki, Bradley L., Vadakkepatt, Ajay, Roberts, Scott A., & Murthy, Jayathi Y. Volume-Averaged Electrochemical Performance Modeling of 3D Interpenetrating Battery Electrode Architectures. United States. https://doi.org/10.1149/2.0072001JES
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Trembacki, Bradley L., Vadakkepatt, Ajay, Roberts, Scott A., and Murthy, Jayathi Y. Mon . "Volume-Averaged Electrochemical Performance Modeling of 3D Interpenetrating Battery Electrode Architectures". United States. https://doi.org/10.1149/2.0072001JES.
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@article{osti_1564576,
title = {Volume-Averaged Electrochemical Performance Modeling of 3D Interpenetrating Battery Electrode Architectures},
author = {Trembacki, Bradley L. and Vadakkepatt, Ajay and Roberts, Scott A. and Murthy, Jayathi Y.},
abstractNote = {Recent advancements in micro-scale additive manufacturing techniques have created opportunities for design of novel electrode geometries that improve battery performance by deviating from the traditional layered battery design. These 3D batteries typically exhibit interpenetrating anode and cathode materials throughout the design space, but the existing well-established porous electrode theory models assume only one type of electrode is present in each battery layer. We therefore develop and demonstrate a multi-electrode volume-averaged electrochemical transport model to simulate transient discharge performance of these new interpenetrating electrode architectures. We implement the new reduced-order model in the PETSc framework and asses its accuracy by comparing predictions to corresponding mesoscale-resolved simulations that are orders of magnitude more computationally-intensive. For simple electrode designs such as alternating plates or cylinders, the volume-averaged model predicts performance within ~2% for electrode feature sizes comparable to traditional particle sizes (5-10μm) at discharge rates up to 3C. When considering more complex geometries such as minimal surface designs (i.e. gyroid, Schwarz P), we show that using calibrated characteristic diffusion lengths for each design results in errors below 3% for discharge rates up to 3C. These comparisons verify that this novel model has made reliable cell-scale simulations of interpenetrating electrode designs possible.},
doi = {10.1149/2.0072001JES},
journal = {Journal of the Electrochemical Society},
number = 1,
volume = 167,
place = {United States},
year = {Mon Sep 23 00:00:00 EDT 2019},
month = {Mon Sep 23 00:00:00 EDT 2019}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.1149/2.0072001JES
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Cited by: 4 works
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Figures / Tables:

Figure 1 Figure 1: Typical layered particle bed battery geometry. Representative discharge transport pathways are depicted for electrons (yellow), intercalated lithium (green), and lithium ions in the electrolyte (blue).
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