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Density Functional Theory (DFT) calculations of electrode material properties in high energy density storage devices like lithium batteries have been standard practice for decades. In contrast, DFT modelling of explicit interfaces in…

Materials Science · Physics 2020-06-24 Kevin Leung

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

This study is concerned with modeling detrimental deformations of the binder phase within lithium-ion batteries that occur during cell assembly and usage. A two-dimensional poroviscoelastic model for the mechanical behavior of porous…

Fluid Dynamics · Physics 2018-01-17 Jamie M. Foster , S. Jon Chapman , Giles Richardson , Bartosz Protas

Thermodynamic properties of charge-stabilised colloidal suspensions are commonly modeled by implementing the mean-field Poisson-Boltzmann (PB) theory within a cell model. This approach models a bulk system by a single macroion, together…

Soft Condensed Matter · Physics 2015-05-18 Alan R. Denton

Most technologically useful materials are polycrystalline microstructures composed of a myriad of small monocrystalline grains separated by grain boundaries. The energetics and connectivities of grain boundaries play a crucial role in…

Analysis of PDEs · Mathematics 2020-08-20 Yekaterina Epshteyn , Chun Liu , Masashi Mizuno

We study precision charging in bosonic quantum batteries under a finite-energy constraint, using the signal-to-noise ratio (SNR) of delivered excitations as an operational metric directly tied to the energy measured at a load. At the state…

Quantum Physics · Physics 2025-12-16 Beatriz Polo , Federico Centrone

In this paper we review several approaches to mathematical modeling of simple battery cells and develop these ideas further with emphasis on charge recovery and the response behavior of batteries to given external load. We focus on models…

Probability · Mathematics 2016-04-04 Ingemar Kaj , Victorien Konané

We study the optimal control of battery energy storage under a general "pay-for-performance" setup such as providing frequency regulation and renewable integration. In these settings, batteries need to carefully balance the trade-off…

Optimization and Control · Mathematics 2018-07-31 Yuanyuan Shi , Bolun Xu , Yushi Tan , Daniel Kirschen , Baosen Zhang

Charge unbalance is one of the key issues for series-connected Lithium-ion cells. Within this context, model-based optimization strategies have proven to be the most effective. In the present paper, an ad-hoc electrochemical model, tailored…

Systems and Control · Computer Science 2019-02-07 Andrea Pozzi , Massimo Zambelli , Antonella Ferrara , Davide Martino Raimondo

We study a model of 2D QFT with boundary interaction, in which two-component massless Bose field is constrained to a circle at the boundary. We argue that this model is integrable at two values of the topological angle, $\theta =0$ and…

High Energy Physics - Theory · Physics 2011-02-16 S. L. Lukyanov , A. B. Zamolodchikov

The imprint effect, a significant reliability challenge in ferroelectric memories, manifests as a shift in the coercive field during retention and endurance tests, ultimately degrading the usable memory window. \rv{While traditional models…

Materials Science · Physics 2025-12-17 Huanhuan Tian , Jianguo Yang , Ming Liu

Grain microstructures are crucial to the mechanical properties, performance, and often lifetime of metallic components. Hence, the prediction of grain microstructures emerging from solidification processes at relevant macroscopic scale is…

Materials Science · Physics 2025-04-18 Salem Mosbah , Rodrigo Gómez Vázquez , Constantin Zenz , Damien Tourret , Andreas Otto

This work explores controllability and the control effort required for lithium-ion batteries. Battery packs have become a critical technology in both personal and professional applications as a means to store large amounts of energy.…

Systems and Control · Electrical Eng. & Systems 2026-04-14 Preston T. Abadie , Donald J. Docimo

A numerical method using implicit surface representations is proposed to solve the linearized Poisson-Boltzmann equations that arise in mathematical models for the electrostatics of molecules in solvent. The proposed method used an implicit…

Numerical Analysis · Mathematics 2018-04-04 Yimin Zhong , Kui Ren , Richard Tsai

This paper presents the current state of mathematical modelling of the electrochemical behaviour of lithium-ion batteries as they are charged and discharged. It reviews the models developed by Newman and co-workers, both in the cases of…

Chemical Physics · Physics 2020-02-04 Giles W Richardson , Jamie M Foster , Rahifa Ranom , Colin P Please , Angel M Ramos

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

Extended defects, including exposed surfaces and grain boundaries, are critical to the properties of polycrystalline solid electrolytes in all-solid-state batteries (ASSBs). These defects can significantly alter the mechanical and…

Materials Science · Physics 2024-01-18 Weihang Xie , Zeyu Deng , Zhengyu Liu , Theodosios Famprikis , Keith T. Butler , Pieremanuele Canepa

A generalization of the mean-field approach will be derived that will take into account the ion-ion as well as ion-surface non-electrostatic effects on an equal footing, being based on the bulk and surface equations of state in the absence…

Soft Condensed Matter · Physics 2018-06-20 Rudolf Podgornik

Granular systems confined in vertically vibrated shallow horizontal boxes (quasi two-dimensional geometry) present a liquid to solid phase transition when the frequency of the periodic forcing is increased. An effective model, where grains…

Statistical Mechanics · Physics 2018-08-08 Dino Risso , Rodrigo Soto , Marcelo Guzman

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