BattPhase—A Convergent, Non-Oscillatory, Efficient Algorithm and Code for Predicting Shape Changes in Lithium Metal Batteries Using Phase-Field Models: Part I. Secondary Current Distribution

Jang, Taejin; Mishra, Lubhani; Roberts, Scott A.; Planden, Brady; Subramaniam, Akshay; Uppaluri, Maitri; Linder, David; Gururajan, Mogadalai P.; Zhang, Ji-Guang; Subramanian, Venkat R.

doi:10.1149/1945-7111/ac86a7

BattPhase—A Convergent, Non-Oscillatory, Efficient Algorithm and Code for Predicting Shape Changes in Lithium Metal Batteries Using Phase-Field Models: Part I. Secondary Current Distribution

Journal Article · Thu Aug 18 00:00:00 EDT 2022 · Journal of the Electrochemical Society

DOI:https://doi.org/10.1149/1945-7111/ac86a7· OSTI ID:1922606

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University of Texas, Austin, TX (United States)
Sandia National Laboratory (SNL-NM), Albuquerque, NM (United States)
Oxford Brookes University (United Kingdom)
Maplesoft, Waterloo, Ontario (Canada)
Indian Institute of Technology Bombay (IIT), Mumbai (India)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Electrochemical models at different scales and varying levels of complexity have been used in the literature to study the evolution of the anode surface in lithium metal batteries. This includes continuum, mesoscale (phase-field approaches), and multiscale models. Thermodynamics-based equations have been used to study phase changes in lithium batteries using phase-field approaches. However, grid convergence studies and the effect of additional parameters needed to simulate these models are not well-documented in the literature. In this paper, using a motivating example of a moving boundary model in one- and two-dimensions, we show how one can formulate phase-field models, implement algorithms for the same and analyze the results. An open-access code with no restrictions is provided as well. This article concludes with some thoughts on the computational efficiency of phase-field models for simulating dendritic growth.

View Accepted Manuscript (DOE)

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office

Grant/Contract Number:: AC05-76RL01830; NA0003525

OSTI ID:: 1922606

Alternate ID(s):: OSTI ID: 2311649

Report Number(s):: PNNL-SA--177270; SAND--2023-11776J

Journal Information:: Journal of the Electrochemical Society, Journal Name: Journal of the Electrochemical Society Journal Issue: 8 Vol. 169; ISSN 0013-4651

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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