journal article·2021-11-12Open access

A Minimal Information Set To Enable Verifiable Theoretical Battery Research

Aashutosh Mistry, Ankit Verma, Shashank Sripad, Rebecca Ciez, Valentin Sulzer, Ferran Brosa Planella, Robert Timms, Yumin Zhang, Rachel Kurchin, Philipp Dechent, Weihan Li, Samuel Greenbank, Zeeshan Ahmad, Dilip Krishnamurthy, Alexis M. Fenton, Kevin Tenny, Prehit Patel, Daniel Juarez Robles, Paul Gasper, Andrew Colclasure, Artem Baskin, Corinne D. Scown, Venkat R. Subramanian, Edwin Khoo, Srikanth Allu, David Howey, Steven DeCaluwe, Scott A. Roberts, Venkatasubramanian Viswanathan

ACS Energy Letters· Volume 6· Issue 11

Abstract

Batteries are an enabling technology for addressing sustainability through the electrification of various forms of transportation (1) and grid storage. (2) Batteries are truly multi-scale, multi-physics devices, and accordingly various theoretical descriptions exist to understand their behavior (3−5) ranging from atomistic details to techno-economic trends. As we explore advanced battery chemistries (6,7) or previously inaccessible aspects of existing ones, (8−10) new theories are required to drive decisions. (11−13) The decisions are influenced by the limitations of the underlying theory. Advanced theories used to understand battery phenomena are complicated and require substantial effort to reproduce. However, such constraints should not limit the insights from these theories. We can strive to make the theoretical research verifiable such that any battery stakeholder can assess the veracity of new theories, sophisticated simulations or elaborate analyses. We distinguish verifiability, which amounts to “Can I trust the results, conclusions and insights and identify the context where they are relevant?”, from reproducibility, which ensures “Would I get the same results if I followed the same steps?” With this motivation, we propose a checklist to guide future reports of theoretical battery research in Table 1. We hereafter discuss our thoughts leading to this and how it helps to consistently document necessary details while allowing complete freedom for creativity of individual researchers. Given the differences between experimental and theoretical studies, the proposed checklist differs from its experimental counterparts. (14,15) This checklist covers all flavors of theoretical battery research, ranging from atomic/molecular calculations (16−19) to mesoscale (20,21) and continuum-scale interactions, (9,22) and techno-economic analysis. (23,24) Also, as more and more experimental studies analyze raw data, (25) we feel this checklist would be broadly relevant.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Advanced Battery Technologies Research · Radiation Effects in Electronics · Embedded Systems Design Techniques

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois 60439, United States

Energy Conversion and Storage Systems Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States

Department of Mechanical Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States

School of Mechanical Engineering, Division of Environmental & Ecological Engineering, Purdue University, West Lafayette, Indiana 47907, United States

University of Warwick, Coventry CV4 7AL, United Kingdom

Mathematical Institute, University of Oxford, Oxford OX2 6GG United Kingdom

Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States

Institute for Power Electronics and Electrical Drives (ISEA), RWTH Aachen University, Jaegerstrasse 17-19, 52066, Aachen, Germany

Battery Intelligence Lab, Department of Engineering Sciences, University of Oxford, Oxford, OX1 3PJ, United Kingdom

Pritzker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States

Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States

Department of Mechanical and Aerospace Engineering, University of Alabama in Huntsville, Huntsville, Alabama35899, United States

Electrochemical Safety Research Institute, Underwriters Laboratories Inc., Northbrook, Illinois 60062, United States

NASA Ames Research Center, Moffett Field, California 94035, United States

Energy Analysis and Environmental Impacts Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Walker Department of Mechanical Engineering & Material Science Engineering, The University of Texas at Austin, Austin, Texas 78712, United States

Institute for Infocomm Research, Agency for Science, Technology, and Research (A*STAR), 1 Fusionopolis Way, Connexis, Singapore 138632, Singapore

Computational Sciences & Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

Department of Mechanical Engineering, Colorado School of Mines, Golden, Colorado 80401, United States

Engineering Sciences Center, Sandia National Laboratories, Albuquerque, New Mexico 87185, United States

Funding

Aeronautics Research Mission Directorate · Oak Ridge National Laboratory · National Renewable Energy Laboratory · National Nuclear Security Administration · Argonne National Laboratory · Lawrence Berkeley National Laboratory

References (63)

Show source-provided references
1. 10.1021/acsenergylett.9b0257410.1021/acsenergylett.9b02574 ↗
2. 10.1016/j.joule.2019.11.00910.1016/j.joule.2019.11.009 ↗
3. Newman J. · 2012
4. 10.1149/2.F03204IF10.1149/2.F03204IF ↗
5. 10.1021/acsenergylett.1c0019410.1021/acsenergylett.1c00194 ↗
6. 10.1073/pnas.150572811210.1073/pnas.1505728112 ↗
7. 10.1149/1945-7111/ab9b0810.1149/1945-7111/ab9b08 ↗
8. 10.1149/1945-7111/ac103310.1149/1945-7111/ac1033 ↗
9. 10.1149/1945-7111/ab8fd710.1149/1945-7111/ab8fd7 ↗
10. 10.1021/acsenergylett.8b0219510.1021/acsenergylett.8b02195 ↗
11. 10.1039/c3ee43870h10.1039/c3ee43870h ↗
12. 10.1021/acsenergylett.7b0079210.1021/acsenergylett.7b00792 ↗
13. 10.1016/j.jpowsour.2017.06.05510.1016/j.jpowsour.2017.06.055 ↗
14. 10.1016/j.joule.2020.12.02610.1016/j.joule.2020.12.026 ↗
15. 10.1021/acsenergylett.1c0087010.1021/acsenergylett.1c00870 ↗
16. 10.1038/natrevmats.2015.410.1038/natrevmats.2015.4 ↗
17. 10.1002/aenm.20200237310.1002/aenm.202002373 ↗
18. 10.1088/2515-7655/abb01110.1088/2515-7655/abb011 ↗
19. 10.1021/acs.jpclett.0c0268210.1021/acs.jpclett.0c02682 ↗
20. 10.1021/acsenergylett.0c0190410.1021/acsenergylett.0c01904 ↗
21. 10.1021/acsami.0c0825110.1021/acsami.0c08251 ↗
22. 10.1149/1945-7111/ab905010.1149/1945-7111/ab9050 ↗
23. Gallagher, K. G.; Nelson, P. A. Lithium-Ion Batteries; Elsevier BV, 2014; pp 97–126.10.1016/B978-0-444-59513-3.00006-6 ↗
24. 10.1016/j.etran.2021.10010610.1016/j.etran.2021.100106 ↗
25. 10.1149/1945-7111/ab956910.1149/1945-7111/ab9569 ↗
26. Zienkiewicz O. C. · 2005
27. 10.33011/livecoms.1.1.632410.33011/livecoms.1.1.6324 ↗
29. Bishop C. M. · 2006
30. 10.1149/2.0831910jes10.1149/2.0831910jes ↗
31. 10.1073/pnas.200884111710.1073/pnas.2008841117 ↗
32. 10.1016/j.ifacol.2020.12.177010.1016/j.ifacol.2020.12.1770 ↗
33. 10.1021/acs.jpclett.1c0094310.1021/acs.jpclett.1c00943 ↗
34. 10.1016/j.electacta.2021.13852410.1016/j.electacta.2021.138524 ↗
35. 10.1149/2.0161711jes10.1149/2.0161711jes ↗
36. 10.1016/j.apenergy.2020.11553010.1016/j.apenergy.2020.115530 ↗
37. 10.1016/j.joule.2020.01.00710.1016/j.joule.2020.01.007 ↗
38. 10.1016/j.electacta.2011.08.06710.1016/j.electacta.2011.08.067 ↗
39. 10.1002/batt.20210014810.1002/batt.202100148 ↗
40. 10.1149/1945-7111/ab632b10.1149/1945-7111/ab632b ↗
41. 10.1149/1945-7111/abdde110.1149/1945-7111/abdde1 ↗
42. Greenbank S. · arXiv Preprint · 2021 · arXiv:2104.0757
43. 10.1149/2.1521910jes10.1149/2.1521910jes ↗
44. 10.1021/acsenergylett.6b0010210.1021/acsenergylett.6b00102 ↗
45. 10.1063/5.002361110.1063/5.0023611 ↗
46. 10.1016/j.jpowsour.2021.23002410.1016/j.jpowsour.2021.230024 ↗
47. 10.1149/2.0341915jes10.1149/2.0341915jes ↗
48. 10.1038/s41560-020-0644-310.1038/s41560-020-0644-3 ↗
49. 10.1149/1945-7111/aba5d110.1149/1945-7111/aba5d1 ↗
50. 10.1149/1945-7111/abeea310.1149/1945-7111/abeea3 ↗
51. 10.1115/1.404582010.1115/1.4045820 ↗
52. 10.1063/5.002377110.1063/5.0023771 ↗
53. 10.1149/1.139361810.1149/1.1393618 ↗
54. 10.1137/20M133689810.1137/20M1336898 ↗
55. 10.1021/acs.est.1c0127310.1021/acs.est.1c01273 ↗
56. 10.1149/2.1701713jes10.1149/2.1701713jes ↗
57. 10.1016/j.xcrp.2020.10030110.1016/j.xcrp.2020.100301 ↗
58. 10.1149/1945-7111/abe5e710.1149/1945-7111/abe5e7 ↗
59. 10.1063/1.366338510.1063/1.3663385 ↗
60. 10.1016/j.jpowsour.2021.22946910.1016/j.jpowsour.2021.229469 ↗
61. 10.1021/acs.jpclett.1c0152210.1021/acs.jpclett.1c01522 ↗
62. 10.1021/acsenergylett.0c0130410.1021/acsenergylett.0c01304 ↗
63. Viswanathan, V., Jun 14, 2021; https://twitter.com/venkvis/status/1404606252592680964.