Publications

2021

A. Sood, A. D. Poletayev, D. A. Cogswell, P. M. Csernica, J. T. Mefford, D. Fraggedakis, M. F. Toney, A. M. Lindenberg, M. Z. Bazant, W. C. Chueh, Electrochemical ion insertion from the atomic to the device scale. Nat. Rev. Mater., 1-21 (2021).

W. Li, M. Z. Bazant, J. Zhu, A physics-guided neural network framework for elastic plates: Comparison of governing equations-based and energy-based approaches. Comput. Methods Appl. Mech. Eng. 383, 113933 (2021).

H. Xu, J. Zhu, D. P. Finegan, H. Zhao, X. Lu, W. Li, N. Hoffman, A. Bertei, P. Shearing, M. Z. Bazant, Guiding the Design of Heterogeneous Electrode Microstructures for Li-Ion Batteries: Microscopic Imaging, Predictive Modeling, and Machine Learning. Adv. Energy Mater., 2003908.

H. Zhao, R. D. Braatz, M. Z. Bazant, Image inversion and uncertainty quantification for constitutive laws of pattern formation. J. Comput. Phys. 436, 110279 (2021).

A. Deva, V. Krs, L. D. Robinson, C. S. Adorf, B. Benes, S. C. Glotzer, R. E. García, Data driven analytics of porous battery microstructures. Energy Environ. Sci. (2021).

J. Park, H. Zhao, S. D. Kang, K. Lim, C.-C. Chen, Y.-S. Yu, R. D. Braatz, D. A. Shapiro, J. Hong, M. F. Toney, M. Z. Bazant, W. C. Chueh, Fictitious phase separation in Li layered oxides driven by electro-autocatalysis. Nat. Mater., 1–9 (2021).

M. Aykol, C. B. Gopal, A. Anapolsky, P. K. Herring, B. van Vlijmen, M. D. Berliner, M. Z. Bazant, R. D. Braatz, W. C. Chueh, B. D. Storey, Perspective—Combining Physics and Machine Learning to Predict Battery Lifetime. J. Electrochem. Soc. 168, 030525 (2021).

T. Gao, Y. Han, D. Fraggedakis, S. Das, T. Zhou, C.-N. Yeh, S. Xu, W. C. Chueh, J. Li, M. Z. Bazant, Interplay of Lithium Intercalation and Plating on a Single Graphite Particle. Joule. 5, 393–414 (2021).

J. Lund, K. S. N. Vikrant, C. M. Bishop, W. Rheinheimer, R. E. García, Thermodynamically consistent variational principles for charged interfaces. Acta Mater. 205, 116525 (2021).

2020

D. P. Finegan, J. Zhu, X. Feng, M. Keyser, M. Ulmefors, W. Li, M. Z. Bazant, S. J. Cooper, The Application of Data-Driven Methods and Physics-Based Learning for Improving Battery Safety. Joule, S2542435120305626 (2020).

D. Fraggedakis, M. McEldrew, R. B. Smith, Y. Krishnan, Y. Zhang, P. Bai, W. C. Chueh, Y. Shao-Horn, M. Z. Bazant, Theory of coupled ion-electron transfer kinetics. Electrochim. Acta, 137432 (2020).

K. Shah, A. Subramaniam, L. Mishra, T. Jang, M. Z. Bazant, R. D. Braatz, V. R. Subramanian, Editors’ Choice—Perspective—Challenges in Moving to Multiscale Battery Models: Where Electrochemistry Meets and Demands More from Math. J. Electrochem. Soc. 167, 133501 (2020).

A. D. Sendek, E. R. Antoniuk, E. D. Cubuk, B. Ransom, B. E. Francisco, J. Buettner-Garrett, Y. Cui, E. J. Reed, Combining Superionic Conduction and Favorable Decomposition Products in the Crystalline Lithium–Boron–Sulfur System: A New Mechanism for Stabilizing Solid Li-Ion Electrolyte. ACS Appl. Mater. Interfaces 12, 37957–37966 (2020)

P. Herring, C. Balaji Gopal, M. Aykol, J. H. Montoya, A. Anapolsky, P. M. Attia, W. Gent, J. S. Hummelshøj, L. Hung, H.-K. Kwon, P. Moore, D. Schweigert, K. A. Severson, S. Suram, Z. Yang, R. D. Braatz, B. D. Storey, BEEP: A Python library for Battery Evaluation and Early Prediction. SoftwareX. 11, 100506 (2020).

D. Fraggedakis, N. Nadkarni, T. Gao, T. Zhou, Y. Zhang, Y. Han, R. M. Stephens, Y. Shao-Horn, M. Z. Bazant, A scaling law to determine phase morphologies during ion intercalation. Energy Environ. Sci. 13, 2142-2152 (2020).

A. D. Sendek, G. Cheon, M. Pasta, E. J. Reed, Quantifying the Search for Solid Li-Ion Electrolyte Materials by Anion: A Data-Driven Perspective. J. of Phys. Chem. C. 124, 8067–8079 (2020).

P. M. Attia, A. Grover, N. Jin, K. A. Severson, T. M. Markov, Y.-H. Liao, M. H. Chen, B. Cheong, N. Perkins, Z. Yang, P. K. Herring, M. Aykol, S. J. Harris, R. D. Braatz, S. Ermon, W. C. Chueh, Closed-loop optimization of fast-charging protocols for batteries with machine learning. Nature. 578, 397–402 (2020).

H. Zhao, B. D. Storey, R. D. Braatz, M. Z. Bazant, Learning the Physics of Pattern Formation from Images. Phys. Rev. Lett. 124, 060201 (2020).

2019

M. Aykol, J. S. Hummelshøj, A. Anapolsky, K. Aoyagi, M. Z. Bazant, T. Bligaard, R. D. Braatz, S. Broderick, D. Cogswell, J. Dagdelen, W. Drisdell, E. Garcia, K. Garikipati, V. Gavini, W. E. Gent, L. Giordano, C. P. Gomes, R. Gomez-Bombarelli, C. Balaji Gopal, J. M. Gregoire, J. C. Grossman, P. Herring, L. Hung, T. F. Jaramillo, L. King, H.-K. Kwon, R. Maekawa, A. M. Minor, J. H. Montoya, T. Mueller, C. Ophus, K. Rajan, R. Ramprasad, B. Rohr, D. Schweigert, Y. Shao-Horn, Y. Suga, S. K. Suram, V. Viswanathan, J. F. Whitacre, A. P. Willard, O. Wodo, C. Wolverton, B. D. Storey, The Materials Research Platform: Defining the Requirements from User Stories. Matter. 1, 1433–1438 (2019).

N. Nadkarni, T. Zhou, D. Fraggedakis, T. Gao, M. Z. Bazant, Modeling the Metal–Insulator Phase Transition in LixCoO2 for Energy and Information Storage. Adv. Func. Mater. 29, 1902821 (2019).

H. Zhao, M. Z. Bazant, Population dynamics of driven autocatalytic reactive mixtures. Phys. Rev. E. 100, 012144 (2019).

E. Khoo, H. Zhao, M. Z. Bazant, Linear Stability Analysis of Transient Electrodeposition in Charged Porous Media: Suppression of Dendritic Growth by Surface Conduction. J. Electrochem. Soc. 166, A2280–A2299 (2019).

E. D. Cubuk, A. D. Sendek, E. J. Reed, Screening billions of candidates for solid lithium-ion conductors: A transfer learning approach for small data. J. Chem. Phys. 150, 214701 (2019).

A. Jana, G. M. Shaver, R. E. García, Physical, on the fly, capacity degradation prediction of LiNiMnCoO2-graphite cells. J. of Power Sources. 422, 185–195 (2019).

K. A. Severson, P. M. Attia, N. Jin, N. Perkins, B. Jiang, Z. Yang, M. H. Chen, M. Aykol, P. K. Herring, D. Fraggedakis, M. Z. Bazant, S. J. Harris, W. C. Chueh, R. D. Braatz, Data-driven prediction of battery cycle life before capacity degradation. Nature Energy, 1 (2019).

S. Das, P. M. Attia, W. C. Chueh, M. Z. Bazant, Electrochemical Kinetics of SEI Growth on Carbon Black: Part II. Modeling. J. Electrochem. Soc. 166, E107 (2019).

P. M. Attia, S. Das, S. J. Harris, M. Z. Bazant, W. C. Chueh, Electrochemical Kinetics of SEI Growth on Carbon Black: Part I. Experiments. J. Electrochem. Soc. 166, E97–E106 (2019).

A. D. Sendek, E. D. Cubuk, E. R. Antoniuk, G. Cheon, Y. Cui, E. J. Reed, Machine Learning-Assisted Discovery of Solid Li-Ion Conducting Materials. Chem. Mater. 31, 342–352 (2019).

2018

Y. Li, H. Chen, K. Lim, H. D. Deng, J. Lim, D. Fraggedakis, P. M. Attia, S. C. Lee, N. Jin, J. Moškon, Z. Guan, W. E. Gent, J. Hong, Y.-S. Yu, M. Gaberšček, M. S. Islam, M. Z. Bazant, W. C. Chueh, Fluid-enhanced surface diffusion controls intraparticle phase transformations. Nat. Mater. 17, 915–922 (2018).

A. Grover, T. Markov, P. Attia, N. Jin, N. Perkins, B. Cheong, M. Chen, Z. Yang, S. Harris, W. Chueh, S. Ermon, Best arm identification in multi-armed bandits with delayed feedback in Proceedings of the Twenty-First International Conference on Artificial Intelligence and Statistics, (PMLR, Playa Blanca, Lanzarote, Canary Islands, 2018), vol. 84 of Proceedings of Machine Learning Research, pp. 833–842.

N. Nadkarni, E. Rejovitsky, D. Fraggedakis, C. V. Di Leo, R. B. Smith, P. Bai, M. Z. Bazant, Interplay of phase boundary anisotropy and electro-auto-catalytic surface reactions on the lithium intercalation dynamics in LiXFePO4 plateletlike nanoparticles. Phys. Rev. Materials. 2, 085406 (2018).

K. S. N. Vikrant, W. C. Chueh, R. E. García, Charged interfaces: electrochemical and mechanical effects. Energy Environ. Sci. 11, 1993–2000 (2018).

A. Vasileiadis, N. J. J. de Klerk, R. B. Smith, S. Ganapathy, P. P. R. M. L. Harks, M. Z. Bazant, M. Wagemaker, Toward Optimal Performance and In-Depth Understanding of Spinel Li4Ti5O12 Electrodes through Phase Field Modeling. Adv. Func. Mater. 28, 1705992 (2018).

2017

N. J. J. de Klerk, A. Vasileiadis, R. B. Smith, M. Z. Bazant, M. Wagemaker, Explaining key properties of lithiation in TiO2-anatase Li-ion battery electrodes using phase-field modeling. Phys. Rev. Materials. 1, 025404 (2017).

R. B. Smith, M. Z. Bazant, Multiphase Porous Electrode Theory. J. Electrochem. Soc. 164, E3291–E3310 (2017).

A. D. Sendek, Q. Yang, E. D. Cubuk, K.-A. N. Duerloo, Y. Cui, E. J. Reed, Holistic computational structure screening of more than 12 000 candidates for solid lithium-ion conductor materials. Energy Environ. Sci. 10, 306–320 (2017).