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Solid ionic conductors are essential components of batteries and fuel cells. In many cases, ionic conduction through crystalline materials with substitutional disorder can be modeled with atomic-scale lattice model percolation simulations.…

Materials Science · Physics 2023-02-15 Alexander Urban

Heterogeneities in lithium ion batteries can be significant factors in electrode under utilisation and degradation while charging. Bilayer electrodes have been proposed as a convenient and scalable way to homogenise the electrode response.…

Dynamical Systems · Mathematics 2025-11-11 E. C. Tredenick , A. M. Boyce , R. Drummond , S. R. Duncan

This paper presents a Bayesian parameter estimation approach and identifiability analysis for a lithium-ion battery model, to determine the uniqueness, evaluate the sensitivity and quantify the uncertainty of a subset of the model…

Systems and Control · Electrical Eng. & Systems 2023-09-04 Antti Aitio , Scott G. Marquis , Pedro Ascencio , David Howey

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

We propose a model reduction technique for parametrized partial differential equations arising from scalar hyperbolic conservation laws. The key idea of the technique is to construct basis functions that are local in parameter and time…

Numerical Analysis · Mathematics 2018-05-16 Donsub Rim , Kyle T. Mandli

We introduce a simple and efficient model to describe the potential energy surface of lithium diffusing in a solid-state ionic conductor. First, we assume that the Li atoms are fully ionized and we neglect the weak dependence of the…

Materials Science · Physics 2019-02-07 Leonid Kahle , Aris Marcolongo , Nicola Marzari

We perform phase-field simulations of the electrodeposition process that forms dendrites within metal-anode batteries including anisotropic representation. We describe the evolution of a phase field, the lithium-ion concentration, and an…

The efficient condition assessment of engineered systems requires the coupling of high fidelity models with data extracted from the state of the system `as-is'. In enabling this task, this paper implements a parametric Model Order Reduction…

Numerical Analysis · Mathematics 2024-07-25 Konstantinos Vlachas , Konstantinos Tatsis , Konstantinos Agathos , Adam R. Brink , Eleni Chatzi

To further improve Lithium-ion batteries (LiBs), a profound understanding of complex battery processes is crucial. Physical models offer understanding but are difficult to validate and parameterize. Therefore, automated machine-learning…

Chemical Physics · Physics 2024-10-28 Micha C. J. Philipp , Yannick Kuhn , Arnulf Latz , Birger Horstmann

The entirely soft and transformable room-temperature liquid metal battery based on 3D hybrid printing was proposed and experimentally demonstrated. Liquid metal gallium and conductive gel were employed as the negative and positive electrode…

Applied Physics · Physics 2018-02-07 Fujun Liu , Yongze Yu , Lei Wang , Liting Yi , Jinrong Lu , Bin Yuan , Sicong Tan , Jing Liu

We present a coupled continuum formulation for the electrostatic, chemical, thermal and mechanical processes in battery materials. Our treatment applies on the macroscopic scale, at which electrodes can be modelled as porous materials made…

Chemical Physics · Physics 2017-07-25 Zhenlin Wang , Jason B. Siegel , Krishna Garikipati

A nonequilibrium thermodynamic model is presented for the nonisothermal lithium-ion battery cell. Coupling coefficients, all significant for transport of heat, mass, charge and chemical reaction, were used to model profiles of temperature,…

Chemical Physics · Physics 2024-11-25 Felix Schloms , Øystein Gullbrekken , Signe Kjelstrup

Nonlinear parametric inverse problems appear in many applications and are typically very expensive to solve, especially if they involve many measurements. These problems pose huge computational challenges as evaluating the objective…

Numerical Analysis · Mathematics 2020-03-25 Drayton Munster , Eric de Sturler

Lithium ion batteries have been a central part of consumer electronics for decades. More recently, they have also become critical components in the quickly arising technological fields of electric mobility and intermittent renewable energy…

Computational Physics · Physics 2021-11-15 Chiara Panosetti , Simon B. Anniés , Cristina Grosu , Stefan Seidlmayer , Christoph Scheurer

A bottleneck for computational lithography and optical metrology are long computational times for near field simulations. For design, optimization, and inverse scatterometry usually the same basic layout has to be simulated multiple times…

Optics · Physics 2010-11-12 J. Pomplun , L. Zschiedrich , S. Burger , F. Schmidt

A formulation is presented to efficiently model ionic conduction inside, i.e. across and along, grain boundaries. Efficiency and accuracy is achieved by reducing it to a two-dimensional manifold while guaranteeing the conservation of mass…

Chemical Physics · Physics 2024-01-15 Stephan Sinzig , Christoph P. Schmidt , Wolfgang A. Wall

This paper proposes a new convex model predictive control strategy for dynamic optimal power flow between battery energy storage systems distributed in an AC microgrid. The proposed control strategy uses a new problem formulation, based on…

Systems and Control · Computer Science 2017-05-16 Thomas Morstyn , Branislav Hredzak , Ricardo P. Aguilera , Vassilios G. Agelidis

Rechargeable lithium metal batteries (LMBs) with an ultrahigh theoretical energy density have attracted more and more attentions for their crucial applications of portable electronic devices, electric vehicles, and smart grids. However, the…

Materials Science · Physics 2024-10-22 Yanchen Fana , Xiang Chenb , Dominik Legut , Qianfan Zhang

We review recent ab initio molecular dynamics studies of electrode/electrolyte interfaces in lithium ion batteries. Our goals are to introduce experimentalists to simulation techniques applicable to models which are arguably most faithful…

Materials Science · Physics 2013-04-23 Kevin Leung

A brief description of the novel approach towards solving few-body scattering problems in a finite-dimensional functional space of the $L_2$-type is presented. The method is based on the complete few-body continuum discretization in the…

Nuclear Theory · Physics 2009-11-13 V. N. Pomerantsev , V. I. Kukulin , O. A. Rubtsova