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Title: Mesoscale Electrochemical Performance Simulation of 3D Interpenetrating Lithium-Ion Battery Electrodes

Advancements in micro-scale additive manufacturing techniques have made it possible to fabricate intricate architectures including 3D interpenetrating electrode microstructures. A mesoscale electrochemical lithium-ion battery model is presented and implemented in the PETSc software framework using a finite volume scheme. The model is used to investigate interpenetrating 3D electrode architectures that offer potential energy density and power density improvements over traditional particle bed battery geometries. Using the computational model, a variety of battery electrode geometries are simulated and compared across various battery discharge rates and length scales to quantify performance trends and investigate geometrical factors that improve battery performance. The energy density vs. power density relationship of the electrode microstructures are compared in several ways, including a uniform surface area to volume ratio comparison as well as a comparison requiring a minimum manufacturable feature size. Significant performance improvements over traditional particle-bed electrode designs are predicted, and electrode microarchitectures derived from minimal surfaces are shown to be superior under a minimum feature size constraint, especially when subjected to high discharge currents. An average Thiele modulus formulation is presented as a back-of-the-envelope calculation to predict the performance trends of microbattery electrode geometries.
Authors:
ORCiD logo [1] ;  [2] ;  [2] ;  [2] ;  [3]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Engineering Sciences Center
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  3. Univ. of California, Los Angeles, CA (United States). School of Engineering
Publication Date:
Report Number(s):
SAND2019-2973J
Journal ID: ISSN 0013-4651; 673514
Grant/Contract Number:
NA0003525; AC52-07NA27344
Type:
Published Article
Journal Name:
Journal of the Electrochemical Society
Additional Journal Information:
Journal Volume: 166; Journal Issue: 6; Journal ID: ISSN 0013-4651
Publisher:
The Electrochemical Society
Research Org:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA); LLNL Laboratory Directed Research and Development (LDRD) Program
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; batteries; electrochemical engineering; addative; electrode; interpenetrating
OSTI Identifier:
1501944
Alternate Identifier(s):
OSTI ID: 1502974

Trembacki, Bradley, Duoss, Eric, Oxberry, Geoffrey, Stadermann, Michael, and Murthy, Jayathi. Mesoscale Electrochemical Performance Simulation of 3D Interpenetrating Lithium-Ion Battery Electrodes. United States: N. p., Web. doi:10.1149/2.0031906jes.
Trembacki, Bradley, Duoss, Eric, Oxberry, Geoffrey, Stadermann, Michael, & Murthy, Jayathi. Mesoscale Electrochemical Performance Simulation of 3D Interpenetrating Lithium-Ion Battery Electrodes. United States. doi:10.1149/2.0031906jes.
Trembacki, Bradley, Duoss, Eric, Oxberry, Geoffrey, Stadermann, Michael, and Murthy, Jayathi. 2019. "Mesoscale Electrochemical Performance Simulation of 3D Interpenetrating Lithium-Ion Battery Electrodes". United States. doi:10.1149/2.0031906jes.
@article{osti_1501944,
title = {Mesoscale Electrochemical Performance Simulation of 3D Interpenetrating Lithium-Ion Battery Electrodes},
author = {Trembacki, Bradley and Duoss, Eric and Oxberry, Geoffrey and Stadermann, Michael and Murthy, Jayathi},
abstractNote = {Advancements in micro-scale additive manufacturing techniques have made it possible to fabricate intricate architectures including 3D interpenetrating electrode microstructures. A mesoscale electrochemical lithium-ion battery model is presented and implemented in the PETSc software framework using a finite volume scheme. The model is used to investigate interpenetrating 3D electrode architectures that offer potential energy density and power density improvements over traditional particle bed battery geometries. Using the computational model, a variety of battery electrode geometries are simulated and compared across various battery discharge rates and length scales to quantify performance trends and investigate geometrical factors that improve battery performance. The energy density vs. power density relationship of the electrode microstructures are compared in several ways, including a uniform surface area to volume ratio comparison as well as a comparison requiring a minimum manufacturable feature size. Significant performance improvements over traditional particle-bed electrode designs are predicted, and electrode microarchitectures derived from minimal surfaces are shown to be superior under a minimum feature size constraint, especially when subjected to high discharge currents. An average Thiele modulus formulation is presented as a back-of-the-envelope calculation to predict the performance trends of microbattery electrode geometries.},
doi = {10.1149/2.0031906jes},
journal = {Journal of the Electrochemical Society},
number = 6,
volume = 166,
place = {United States},
year = {2019},
month = {3}
}

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