DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Composition and Manufacturing Effects on Electrical Conductivity of Li/FeS 2 Thermal Battery Cathodes

Abstract

The electrical conductivity is key to the performance of thermal battery cathodes. In this work we present the effects of manufacturing and processing conditions on the electrical conductivity of Li/FeS2 thermal battery cathodes. Finite element simulations were used to compute the conductivity of three-dimensional microcomputed tomography cathode microstructures and compare results to experimental impedance spectroscopy measurements. A regression analysis reveals a predictive relationship between composition, processing conditions, and electrical conductivity; a trend which is largely erased after thermally-induced deformation. Moreover, the trend applies to both experimental and simulation results, although is not as apparent in simulations. This research is a step toward a more fundamental understanding of the effects of processing and composition on thermal battery component microstructure, properties, and performance.

Authors:
 [1]; ORCiD logo [2];  [2];  [2];  [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Univ. of New Mexico, Albuquerque, NM (United States)
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1257804
Report Number(s):
SAND2016-2364J
Journal ID: ISSN 0013-4651; 622005
Grant/Contract Number:  
AC04-94AL85000
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the Electrochemical Society
Additional Journal Information:
Journal Volume: 163; Journal Issue: 8; Journal ID: ISSN 0013-4651
Publisher:
The Electrochemical Society
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; cathodes; electrical conductivity; FeS2; finite element method; mesoscale simulations; micro

Citation Formats

Reinholz, Emilee L., Roberts, Scott A., Apblett, Christopher A., Lechman, Jeremy B., and Schunk, P. Randall. Composition and Manufacturing Effects on Electrical Conductivity of Li/FeS 2 Thermal Battery Cathodes. United States: N. p., 2016. Web. doi:10.1149/2.1191608jes.
Reinholz, Emilee L., Roberts, Scott A., Apblett, Christopher A., Lechman, Jeremy B., & Schunk, P. Randall. Composition and Manufacturing Effects on Electrical Conductivity of Li/FeS 2 Thermal Battery Cathodes. United States. https://doi.org/10.1149/2.1191608jes
Reinholz, Emilee L., Roberts, Scott A., Apblett, Christopher A., Lechman, Jeremy B., and Schunk, P. Randall. Sat . "Composition and Manufacturing Effects on Electrical Conductivity of Li/FeS 2 Thermal Battery Cathodes". United States. https://doi.org/10.1149/2.1191608jes. https://www.osti.gov/servlets/purl/1257804.
@article{osti_1257804,
title = {Composition and Manufacturing Effects on Electrical Conductivity of Li/FeS 2 Thermal Battery Cathodes},
author = {Reinholz, Emilee L. and Roberts, Scott A. and Apblett, Christopher A. and Lechman, Jeremy B. and Schunk, P. Randall},
abstractNote = {The electrical conductivity is key to the performance of thermal battery cathodes. In this work we present the effects of manufacturing and processing conditions on the electrical conductivity of Li/FeS2 thermal battery cathodes. Finite element simulations were used to compute the conductivity of three-dimensional microcomputed tomography cathode microstructures and compare results to experimental impedance spectroscopy measurements. A regression analysis reveals a predictive relationship between composition, processing conditions, and electrical conductivity; a trend which is largely erased after thermally-induced deformation. Moreover, the trend applies to both experimental and simulation results, although is not as apparent in simulations. This research is a step toward a more fundamental understanding of the effects of processing and composition on thermal battery component microstructure, properties, and performance.},
doi = {10.1149/2.1191608jes},
journal = {Journal of the Electrochemical Society},
number = 8,
volume = 163,
place = {United States},
year = {Sat Jun 11 00:00:00 EDT 2016},
month = {Sat Jun 11 00:00:00 EDT 2016}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 9 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Thermal activated (“thermal”) battery technology
journal, March 2008


Electrical and optical properties of natural iron pyrite (FeS2)
journal, October 1988


Electrical properties of natural and synthetic pyrite (FeS 2 ) crystals
journal, July 1990

  • Schieck, R.; Hartmann, A.; Fiechter, S.
  • Journal of Materials Research, Vol. 5, Issue 7
  • DOI: 10.1557/JMR.1990.1567

Characterization of semiconducting properties of naturally occurring polycrystalline FeS2 (pyrite)
journal, January 1990

  • Lalvani, S. B.; Weston, A.; Masden, J. T.
  • Journal of Materials Science, Vol. 25, Issue 1
  • DOI: 10.1007/BF00544193

Nanostructured thermal batteries with high power density
journal, April 2003


Analysis of Pt/C electrode performance in a flowing-electrolyte alkaline fuel cell
journal, February 2012

  • Brushett, Fikile R.; Naughton, Matthew S.; Ng, Jia Wei Desmond
  • International Journal of Hydrogen Energy, Vol. 37, Issue 3
  • DOI: 10.1016/j.ijhydene.2011.10.078

Lithiation-Induced Dilation Mapping in a Lithium-Ion Battery Electrode by 3D X-Ray Microscopy and Digital Volume Correlation
journal, November 2013

  • Eastwood, David S.; Yufit, Vladimir; Gelb, Jeff
  • Advanced Energy Materials, Vol. 4, Issue 4
  • DOI: 10.1002/aenm.201300506

Combining Structural and Electrochemical Analysis of Electrodes Using Micro-Computed Tomography and a Microfluidic Fuel Cell
journal, January 2012

  • Jhong, Huei-Ru (Molly); Brushett, Fikile R.; Yin, Leilei
  • Journal of The Electrochemical Society, Vol. 159, Issue 3
  • DOI: 10.1149/2.033203jes

The Effects of Catalyst Layer Deposition Methodology on Electrode Performance
journal, February 2013

  • Jhong, Huei-Ru “Molly”; Brushett, Fikile R.; Kenis, Paul J. A.
  • Advanced Energy Materials, Vol. 3, Issue 5
  • DOI: 10.1002/aenm.201200759

Submicrometre-resolution polychromatic three-dimensional X-ray microscopy
journal, December 2012


Recent advances in X-ray microtomography applied to materials
journal, May 2008


A Combination of X-Ray Tomography and Carbon Binder Modeling: Reconstructing the Three Phases of LiCoO 2 Li-Ion Battery Cathodes
journal, January 2014

  • Zielke, Lukas; Hutzenlaub, Tobias; Wheeler, Dean R.
  • Advanced Energy Materials, Vol. 4, Issue 8
  • DOI: 10.1002/aenm.201301617

Computing effective properties of random heterogeneous materials on heterogeneous parallel processors
journal, November 2012

  • Leidi, Tiziano; Scocchi, Giulio; Grossi, Loris
  • Computer Physics Communications, Vol. 183, Issue 11
  • DOI: 10.1016/j.cpc.2012.06.010

Critical analysis of the experimental determination of the thermal resistance of metal foams
journal, July 2012


The poro-viscoelastic properties of trabecular bone: a micro computed tomography-based finite element study
journal, April 2015

  • Sandino, Clara; McErlain, David D.; Schipilow, John
  • Journal of the Mechanical Behavior of Biomedical Materials, Vol. 44
  • DOI: 10.1016/j.jmbbm.2014.12.018

A conformal decomposition finite element method for arbitrary discontinuities on moving interfaces: CDFEM FOR ARBITRARY DISCONTINUITIES ON MOVING INTERFACES
journal, June 2014

  • Kramer, Richard M. J.; Noble, David R.
  • International Journal for Numerical Methods in Engineering, Vol. 100, Issue 2
  • DOI: 10.1002/nme.4717

A Framework for Three-Dimensional Mesoscale Modeling of Anisotropic Swelling and Mechanical Deformation in Lithium-Ion Electrodes
journal, January 2014

  • Roberts, Scott A.; Brunini, Victor E.; Long, Kevin N.
  • Journal of The Electrochemical Society, Vol. 161, Issue 11
  • DOI: 10.1149/2.0081411jes

Variations in the compositional, textural and electrical properties of natural pyrite: a review
journal, November 2004

  • Abraitis, P. K.; Pattrick, R. A. D.; Vaughan, D. J.
  • International Journal of Mineral Processing, Vol. 74, Issue 1-4
  • DOI: 10.1016/j.minpro.2003.09.002

The mechanisms of pyrite oxidation and leaching: A fundamental perspective
journal, September 2010


Focused ion beam-scanning electron microscopy on solid-oxide fuel-cell electrode: Image analysis and computing effective transport properties
journal, April 2011


Determination of the size of the representative volume element for random composites: statistical and numerical approach
journal, June 2003


Bounding of effective thermal conductivities of multiscale materials by essential and natural boundary conditions
journal, July 1996


Inorganic Materials Chemistry Desk Reference
reference-book, November 2004


Works referencing / citing this record:

Progress in 3D electrode microstructure modelling for fuel cells and batteries: transport and electrochemical performance
journal, July 2019