TY - JOUR
T1 - A Minimal Information Set To Enable Verifiable Theoretical Battery Research
AU - Mistry, Aashutosh
AU - Verma, Ankit
AU - Sripad, Shashank
AU - Ciez, Rebecca
AU - Sulzer, Valentin
AU - Planella, Ferran Brosa
AU - Timms, Robert
AU - Zhang, Yumin
AU - Kurchin, Rachel
AU - Dechent, Philipp
AU - Li, Weihan
AU - Greenbank, Samuel
AU - Ahmad, Zeeshan
AU - Krishnamurthy, Dilip
AU - Fenton Jr., Alexis
AU - Tenny, Kevin
AU - Patel, Prehit
AU - Juarez Robles, Daniel
AU - Gasper, Paul
AU - Colclasure, Andrew
AU - Baskin, Artem
AU - Scown, Corinne
AU - Subramanian, Venkat
AU - Khoo, Edwin
AU - Allu, Srikanth
AU - Howey, David
AU - Decaluwe, Steven
AU - Roberts, Scott
AU - Viswanathan, Venkatasubramanian
PY - 2021/11/12
Y1 - 2021/11/12
N2 - 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.
AB - 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.
KW - equations
KW - Li-ion battery
KW - modeling
KW - parameters
KW - sensitivity
KW - theory
UR - http://www.scopus.com/inward/record.url?scp=85117824966&partnerID=8YFLogxK
U2 - 10.1021/acsenergylett.1c01710
DO - 10.1021/acsenergylett.1c01710
M3 - Article
AN - SCOPUS:85117824966
SN - 2380-8195
VL - 6
SP - 3831
EP - 3835
JO - ACS Energy Letters
JF - ACS Energy Letters
IS - 11
ER -
