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Thermal electrochemical models for porous electrode batteries (such as lithium ion batteries) are widely used. Due to the multiple scales involved, solving the model accounting for the porous microstructure is computationally expensive,…

Chemical Physics · Physics 2020-04-14 Matthew J. Hunt , Ferran Brosa Planella , Florian Theil , W. Dhammika Widanage

In this work we analyse the local nonlinear electrochemical impedance spectroscopy (NLEIS) response of a lithium-ion battery and estimate model parameters from measured NLEIS data. The analysis assumes a single-particle model including…

Chemical Physics · Physics 2023-04-24 T. L. Kirk , A. Lewis-Douglas , D. A. Howey , C. P. Please , S. J. Chapman

Rechargeable battery electrodes have highly complex microstructures, consisting of nonuniform electrode particles, tortuous electrolyte channels, and irregular particle-electrolyte interfaces. Moreover, the electrochemical processes involve…

Materials Science · Physics 2026-03-26 Hui-Chia Yu , Bernardo Orvananos , Scott Cronin , Martin Bazant , Scott Barnett , K. Thornton

Accurate prediction of thermal runaway in lithium-ion batteries is essential for ensuring the safety, efficiency, and reliability of modern energy storage systems. Conventional data-driven approaches, such as Long Short-Term Memory (LSTM)…

Machine Learning · Computer Science 2026-05-12 Salman Khan , Syed Sajid Ullah , Muhammad Zunair Zamir , Jie Li , Abdul Malik , Saeed Mian Qaisar

Batteries are a key enabling technology for the decarbonization of transport and energy sectors. The safe and reliable operation of batteries is crucial for battery-powered systems. In this direction, the development of accurate and robust…

Machine Learning · Computer Science 2024-07-16 Jokin Alcibar , Jose I. Aizpurua , Ekhi Zugasti

Predicting the physico-chemical properties of pure substances and mixtures is a central task in thermodynamics. Established prediction methods range from fully physics-based ab-initio calculations, which are only feasible for very simple…

Machine Learning · Computer Science 2024-12-02 Johannes Zenn , Dominik Gond , Fabian Jirasek , Robert Bamler

Safe and reliable operation of lithium-ion battery packs depends on effective fault diagnosis. However, model-based approaches often encounter two major challenges: high computational complexity and extensive sensor requirements. To address…

Systems and Control · Electrical Eng. & Systems 2025-03-04 Amir Farakhor , Di Wu , Yebin Wang , Huazhen Fang

Designing optimal formulations is a major challenge in developing electrolytes for the next generation of rechargeable batteries due to the vast combinatorial design space and complex interplay between multiple constituents. Machine…

In this paper, we develop a hybrid prediction framework for accurate electric vehicle (EV) charging time estimation, a capability that is critical for trip planning, user satisfaction, and efficient operation of charging infrastructure. We…

Systems and Control · Electrical Eng. & Systems 2025-12-09 Praharshitha Aryasomayajula , Ting Bai , Andreas A. Malikopoulos

Unpredictability of battery lifetime has been a key stumbling block to technology advancement of safety-critical systems such as electric vehicles and stationary energy storage systems. In this work, we present a novel hybrid fusion…

Computational Engineering, Finance, and Science · Computer Science 2024-10-10 Yisheng Liu , Boru Zhou , Tengwei Pang , Guodong Fan , Xi Zhang

High-fidelity electron microscopy simulations required for quantitative crystal structure refinements face a fundamental challenge: while physical interactions are well-described theoretically, real-world experimental effects are…

This paper presents the development of machine learning-enabled data-driven models for effective capacity predictions for lithium-ion batteries under different cyclic conditions. To achieve this, a model structure is first proposed with the…

Machine Learning · Computer Science 2021-01-05 Kailong Liu , Xiaosong Hu , Zhongbao Wei , Yi Li , Yan Jiang

Accurate models are essential for design, performance prediction, control, and diagnostics in complex engineering systems. Physics-based models excel during the design phase but often become outdated during system deployment due to changing…

Machine Learning · Computer Science 2025-01-22 Zihan Liu , Prashant N. Kambali , C. Nataraj

Scientific analysis often relies on the ability to make accurate predictions of a system's dynamics. Mechanistic models, parameterized by a number of unknown parameters, are often used for this purpose. Accurate estimation of the model…

Dynamical Systems · Mathematics 2017-11-01 Franz Hamilton , Alun Lloyd , Kevin Flores

Fracture of lithium-ion battery electrodes is found to contribute to capacity fade and reduce the lifespan of a battery. Traditional fracture models for batteries are restricted to consideration of a single, idealised particle; here,…

This study presents a controlled parametric framework for analyzing energy storage planning under uncertainty in a multi-stage model predictive control setting. The framework enables a broad and systematic exploration through parametrized…

Modeling microstructure evolution in electrochemical systems is vital for understanding the mechanism of various electrochemical processes. In this work, we propose a general phase field framework that is fully variational and thus…

Materials Science · Physics 2023-12-12 Jin Zhang , Alexander F. Chadwick , Peter W. Voorhees

Reliable models of the thermodynamic properties of materials are critical for industrially relevant applications that require a good understanding of equilibrium phase diagrams, thermal and chemical transport, and microstructure evolution.…

Materials Science · Physics 2018-09-21 Noah H. Paulson , Elise Jennings , Marius Stan

Understanding battery degradation in electric vehicles (EVs) under real-world conditions remains a critical yet under-explored area of research. Central to this investigation is the challenge of estimating the specific degradation modes in…

Optimization and Control · Mathematics 2024-05-20 Raja Abhishek Appana , Faissal El Idrissi , Prashanth Ramesh , Marcello Canova , Chun Yong Kang , Kimoon Um

Accurate parameter dependent electro-chemical numerical models for lithium-ion batteries are essential in industrial application. The exact parameters of each battery cell are unknown and a process of estimation is necessary to infer them.…

Statistics Theory · Mathematics 2024-04-25 Andrea Petrocchi , Matthias K. Scharrer , Franz Pichler , Stefan Volkwein