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Diverse usage patterns induce complex and variable aging behaviors in lithium-ion batteries, complicating accurate health diagnosis and prognosis. Separate diagnostic cycles are often used to untangle the battery's current state of health…

Systems and Control · Electrical Eng. & Systems 2025-03-11 Yunhong Che , Vivek N. Lam , Jinwook Rhyu , Joachim Schaeffer , Minsu Kim , Martin Z. Bazant , William C. Chueh , Richard D. Braatz

A major challenge in the development of new battery materials is understanding their fundamental mechanisms of operation and degradation. Their microscopically inhomogeneous nature calls for characterization tools that provide operando and…

Molecular dynamics simulations are a powerful tool to study diffusion processes in battery electrolyte and electrode materials. From a single molecular dynamics simulation many properties relevant to diffusion can be obtained, including the…

Chemical Physics · Physics 2018-07-09 Niek J. J. de Klerk , Eveline van der Maas , Marnix Wagemaker

Electrolytes mediate interactions between the cathode and anode and determine performance characteristics of batteries. Mixtures of multiple solvents are often used in electrolytes to achieve desired properties, such as viscosity,…

Chemical Physics · Physics 2024-10-22 Celia Kelly , Emil Annevelink , Adarsh Dave , Venkatasubramanian Viswanathan

The Doyle-Fuller-Newman (DFN) model is a common mechanistic model for lithium-ion batteries. The reaction rate constant and diffusivity within the DFN model are key parameters that directly affect the movement of lithium ions, thereby…

Systems and Control · Electrical Eng. & Systems 2025-04-15 Marc D. Berliner , Minsu Kim , Xiao Cui , Vivek N. Lam , Patrick A. Asinger , Martin Z. Bazant , William C. Chueh , Richard D. Braatz

The impedance of a Li-ion battery contains information about its state of charge (SOC), state of health (SOH) and remaining useful life (RUL). Commonly, electrochemical impedance spectroscopy (EIS) is used as a nonparametric data-driven…

This paper proposes a new equivalent circuit model for rechargeable batteries by modifying a double-capacitor model proposed in [1]. It is known that the original model can address the rate capacity effect and energy recovery effect…

Systems and Control · Electrical Eng. & Systems 2024-09-23 Ning Tian , Huazhen Fang , Jian Chen , Yebin Wang

Battery life estimation is critical for optimizing battery performance and guaranteeing minimal degradation for better efficiency and reliability of battery-powered systems. The existing methods to predict the Remaining Useful Life(RUL) of…

Machine Learning · Computer Science 2024-08-15 Sakhinana Sagar Srinivas , Rajat Kumar Sarkar , Venkataramana Runkana

Since the internal temperature is less accessible than surface temperature, there is an urgent need to develop accurate and real-time estimation algorithms for better thermal management and safety. This work presents a novel framework for…

Systems and Control · Electrical Eng. & Systems 2025-09-15 Yusheng Zheng , Wenxue Liu , Yunhong Che , Ferdinand Grimm , Jingyuan Zhao , Xiaosong Hu , Simona Onori , Remus Teodorescu , Gregory J. Offer

The unified 3D phase-field model for the description of the lithium-ion cell as a whole is developed. The model takes into account the realistic distribution of particles in porous electrodes, percolative transport of ions, and the…

Disordered Systems and Neural Networks · Physics 2021-05-11 Pavel E. L'vov , Mikhail Yu. Tikhonchev , Renat T. Sibatov

The degradation process of lithium-ion batteries is intricately linked to their entire lifecycle as power sources and energy storage devices, encompassing aspects such as performance delivery and cycling utilization. Consequently, the…

Machine Learning · Computer Science 2023-08-16 Yue Xiang , Bo Jiang , Haifeng Dai

Silicon (Si) anodes attract a lot of research attention for their potential to enable high energy density lithium-ion batteries (LIBs). Many studies focus on nanostructured Si anodes to counteract deterioration. In this work, we model LIBs…

Chemical Physics · Physics 2024-04-23 Franziska Kilchert , Max Schammer , Arnulf Latz , Birger Horstmann

Batteries are dynamic systems with complicated nonlinear aging, highly dependent on cell design, chemistry, manufacturing, and operational conditions. Prediction of battery cycle life and estimation of aging states is important to…

Systems and Control · Electrical Eng. & Systems 2024-10-11 Joachim Schaeffer , Giacomo Galuppini , Jinwook Rhyu , Patrick A. Asinger , Robin Droop , Rolf Findeisen , Richard D. Braatz

Modeling lithium's atomic-scale behavior is critical for its roles in plasma-facing fusion components and lithium-ion batteries, yet it remains challenging across phase regimes. This study benchmarks ReaxFF, 2NN-MEAM, and SNAP potentials…

Chemical Physics · Physics 2025-09-03 Predrag S. Krstic , Swarit Dwivedi , Adri C. T. van Duin , Bruce E. Koel

The ever-increasing demand for high-capacity rechargeable batteries highlights the need for sensitive and accurate diagnostic technology for determining the state of a cell, for identifying and localizing defects, or for sensing capacity…

Sodium-ion batteries (SIBs) share similar electrochemistry with Li but offer several advantages, including high abundance in nature and low cost, as well as suitability for fast charging due to a Na-ion mobility higher than that of Li. The…

Materials Science · Physics 2026-05-27 Suchona Akter , Mohammad R. Momeni

Accurate and reliable state of charge (SoC) estimation becomes increasingly important to provide a stable and efficient environment for Lithium-ion batteries (LiBs) powered devices. Most data-driven SoC models are built for a fixed ambient…

Machine Learning · Computer Science 2021-01-12 Yan Qin , Stefan Adams , Chau Yuen

All-solid-state batteries are seen as promising candidates to replace conventional batteries with liquid electrolytes in many applications. However, they are not yet feasible for many relevant applications. One particular question of…

Chemical Physics · Physics 2023-07-06 Stephan Sinzig , Thomas Hollweck , Christoph P. Schmidt , Wolfgang A. Wall

We introduce an adhesion parameter that enables rapid screening for materials interfaces with high adhesion. This parameter is obtained by density functional theory calculations of individual single-material slabs rather than slabs…

Battery short-term electrical impedance behavior varies between linear, linear time-varying, or nonlinear at different operating conditions. Data-based electrical impedance modeling techniques often model the battery as a linear…

Systems and Control · Computer Science 2018-05-17 Rishi Relan , Koen Tiels , Jean-Marc Timmermans , Johan Schoukens