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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…

In this review, from crystallographic symmetry to amorphous local polyhedra arrangement and combinations, we examine inorganic solid state electrolytes through the lens of structure property relationships, with oxides, sulfides, and halides…

Materials Science · Physics 2026-04-21 Denys Butenko , Mustafa Khan , Liusuo Wu , Jinlong Zhu

We build a transient multidimensional multiphysical model based on continuum theories, involving the coupled mechanical, thermal and electrochemical phenomena occurring simultaneously in the discharge or charge of lithium-ion batteries. The…

Numerical Analysis · Mathematics 2024-03-26 Jaime Mora-Paz

Li-CO$_2$ batteries are promising energy storage systems due to their high theoretical energy density and CO$_2$ fixation capability, relying on reversible Li$_2$CO$_3$/C formation during discharge/charge cycles. We present a multiscale…

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

To optimize the dispatch of batteries, a model is required that can predict the state of energy (SOE) trajectory for a chosen open-loop power schedule to ensure admissibility (i.e., that schedule can be realized). However, battery dispatch…

Systems and Control · Electrical Eng. & Systems 2025-06-18 Mazen Elsaadany , Mads R. Almassalkhi , Simon H. Tindemans

Lithium titanium oxide Li$_4$Ti$_5$O$_{12}$ (LTO) is an intriguing anode material promising particularly long lived batteries, due to its remarkable phase stability during (dis)charging of the cell. However, its usage is limited by its low…

Materials Science · Physics 2020-01-03 Matthias Kick , Cristina Grosu , Markus Schuderer , Christoph Scheurer , Harald Oberhofer

Understanding the basic physics related to archetypal lithium battery material (such as LiCo$_y$Mn$_{2-y}$O$_{4}$) is of considerable interest and is expected to aid designing of cathodes of high capacity. The relation between…

Strongly Correlated Electrons · Physics 2016-12-22 Krishna Rao Ragavendran , Prabhat Mandal , Sudhakar Yarlagadda

We present a coupled continuum formulation for the electrostatic, chemical, thermal, mechanical and fluid physics in battery materials. Our treatment is at the particle scale, at which the active particles held together by carbon-binders,…

Computational Physics · Physics 2018-07-26 Zhenlin Wang , Krishna Garikipati

We present a broad family of high-order finite element algorithms for simulating the flow of electroneutral electrolytes. The governing partial differential equations that we solve are the electroneutral…

Numerical Analysis · Mathematics 2026-03-31 Aaron Baier-Reinio , Patrick E. Farrell , Charles W. Monroe

Electrochemical hybrid battery models have major potential to enable advanced physics-based control, diagnostic, and prognostic features for next-generation lithium-ion battery management systems. This is due to the physical significance of…

Systems and Control · Electrical Eng. & Systems 2025-05-13 Jackson Fogelquist , Xinfan Lin

In this article, we derive and discuss a physics-based model for impedance spectroscopy of lithium batteries. Our model for electrochemical cells with planar electrodes takes into account the solid-electrolyte interphase (SEI) as porous…

Chemical Physics · Physics 2020-04-03 Fabian Single , Birger Horstmann , Arnulf Latz

As an anode material for lithium-ion batteries, amorphous silicon offers a significantly higher energy density than the graphite anodes currently used. Alloying reactions of lithium and silicon, however, induce large deformation and lead to…

Numerical Analysis · Mathematics 2024-08-07 Raphael Schoof , Johannes Niermann , Alexander Dyck , Thomas Böhlke , Willy Dörfler

The properties of rechargeable lithium-ion batteries are determined by the electrochemical and kinetic properties of their constituent materials as well as by their underlying microstructure. Microstructural design can be leveraged to…

Materials Science · Physics 2022-03-11 Giovanna Bucci , Tushar Swamy , W. Craig Carter , Morad Behandish

Lithium electrolytes are commonly described using separate conceptual frameworks for local coordination chemistry, electrostatic screening, and ionic transport. This separation is effective in dilute conditions but breaks down at higher…

Soft Condensed Matter · Physics 2026-05-12 A. Coste , E. Zunzunegui-Bru , A. van Roekeghem , I. Skarmoutsos , S. Mossa

Li-ion rechargeable batteries have enabled the wireless revolution transforming global communication. Future challenges, however, demands distributed energy supply at a level that is not feasible with the current energy-storage technology.…

Understanding the dynamics of electric-double-layer (EDL) charging in porous media is essential for advancements in next-generation energy storage devices. Due to the high computational demands of direct numerical simulations and a lack of…

Chemical Physics · Physics 2023-09-04 Filipe Henrique , Pawel J. Zuk , Ankur Gupta

Discovering new electrodes for sodium-ion battery requires clear understanding of the material process during battery operation. Using first-principles calculations, we identify mechanisms of ionic diffusion and electronic transfer in newly…

Materials Science · Physics 2017-09-20 Chol-Jun Yu , Song-Hyok Choe , Gum-Chol Ri , Sung-Chol Kim , Hyok-Su Ryo , Yong-Jin Kim

Solid mixed conductors with significant ionic as well as electronic conduction play a pivotal role for mass transfer and storage as required in battery electrodes. Single-phase materials with simultaneously high electronic and ionic…

Mesoscale and Nanoscale Physics · Physics 2017-09-11 M. Kühne , F. Paolucci , J. Popovic , P. M. Ostrovsky , J. Maier , J. H. Smet

Lithium-ion battery performance is strongly influenced by the ionic conductivity of the electrolyte, which depends on the speed at which Li ions migrate across the cell and relates to their solvation structure. The choice of solvent can…