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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,…

Electrode particle cracking is one of the main phenomena driving battery capacity degradation. Recent phase field fracture studies have investigated particle cracking behaviour. However, only the beginning of life has been considered and…

Chemical Physics · Physics 2022-06-28 W. Ai , B. Wu , E. Martínez-Pañeda

Nickel-rich layered oxides have been widely used as positive electrode materials for high-energy-density lithium-ion batteries, but their degradation has severely affected cell performance, in particular at a high voltage and temperature.…

Materials Science · Physics 2023-04-04 Mingzhao Zhuo , Gregory Offer , Monica Marinescu

We investigate the fracture of Li-ion battery cathodic particles using a thermodynamically consistent phase-field approach that can describe arbitrarily complex crack paths and captures the full coupling between Li-ion diffusion, stress,…

Materials Science · Physics 2019-08-23 Ataollah Mesgarnejad , Alain Karma

In this paper, a core-shell enhanced single particle model for iron-phosphate battery cells is formulated, implemented, and verified. Starting from the description of the positive and negative electrodes charge and mass transport dynamics,…

Systems and Control · Electrical Eng. & Systems 2022-09-26 Gabriele Pozzato , Aki Takahashi , Xueyan Li , Donghoon Lee , Johan Ko , Simona Onori

Core-shell electrode particle designs offer a route to improved lithium-ion battery performance. However, they are susceptible to mechanical damage such as fracture and debonding, which can significantly reduce their lifetime. Using a…

Chemical Physics · Physics 2024-03-21 Y. Tu , B. Wu , W. Ai , E. Martínez-Pañeda

In this paper, a novel electrochemical model for LiFePO$_4$ battery cells that accounts for the positive particle lithium intercalation and deintercalation dynamics is proposed. Starting from the enhanced single particle model, mass…

Systems and Control · Electrical Eng. & Systems 2022-09-26 Aki Takahashi , Gabriele Pozzato , Anirudh Allam , Vahid Azimi , Xueyan Li , Donghoon Lee , Johan Ko , Simona Onori

Lithium-ion batteries (LIBs) of high energy density and light-weight design, have found wide applications in electronic devices and systems. Degradation mechanisms that caused by lithiation is a main challenging problem for LIBs with high…

Computational Engineering, Finance, and Science · Computer Science 2020-06-26 Masoud Ahmadi

Cathode particle fracture is widely recognised as a major degradation mechanism in lithium-ion batteries, yet cracking also permits electrolyte wetting of newly exposed internal surfaces, modifying interfacial reaction pathways. The…

Computational Engineering, Finance, and Science · Computer Science 2026-05-05 S. Luza-Vega , Y. Zhao , E. Martínez-Pañeda

Crack growth in lithium-ion battery electrodes is typically detrimental and undesirable. However, recent experiments suggest that stabilized fracture of cathode active materials in liquid electrolytes can increase electrochemically active…

To study the electrochemical reaction on surfaces, phase interfaces, and crack surfaces in the lithium ion battery electrode particles, a phase-field model is developed, which describes fracture in large strains and anisotropic…

Materials Science · Physics 2016-05-31 Ying Zhao , Bai-Xiang Xu , Peter Stein , Dietmar Gross

In this study, a multiphysics model fully coupling mass transport, deformation, phase field, and fatigue damage was developed to investigate the cracking and fracturing behaviours of Si particles during the single lithiation-delithiation…

Applied Physics · Physics 2026-01-06 Jie Yang , Wei Tan

Silicon is a promising anode material for next-generation lithium-ion batteries due to its exceptionally high specific capacity (3600 mAh g$^{-1}$), significantly exceeding that of conventional graphite. However, its practical application…

Chemical Physics · Physics 2026-01-08 D Sugunan , Y Jiang , J Guo , H Wang , M Marinescu , G Offer

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…

Predicting lithium-ion battery lifetime is one of the greatest unsolved problems in battery research right now. Recent years have witnessed a surge in lifetime prediction papers using physics-based, empirical, or data-driven models, most of…

Challenges associated with in-service mechanical degradation of Li-ion battery cathodes has prompted a transition from polycrystalline to single crystal cathode materials. Whilst for single crystal materials, dislocation-assisted crack…

Materials Science · Physics 2023-08-15 Siyang Wang , Zonghao Shen , Aigerim Omirkhan , Oriol Gavalda-Diaz , Mary P. Ryan , Finn Giuliani

Higher energy density and longer lifetime are the requirements for next-generation lithium-ion batteries. A promising anode material is silicon, which offers high specific capacity, but its significant volume change during lithiation and…

We present a new theoretical and computational framework for modelling electro-chemo-mechanical fracture. The model combines a phase field description of fracture with a fully coupled characterisation of electrolyte behaviour, surface…

Computational Engineering, Finance, and Science · Computer Science 2023-08-02 T. Hageman , E. Martínez-Pañeda

A deep learning model is employed to address the challenging problem of V2O5 nanoparticle segmentation and the correlation between the chemical composition and the geometrical features of lithiated V2O5 nanoparticles as an exemplar of a…

Li-ion battery performance is strongly influenced by their cathodes' properties and consequently by the 3D microstructure of the particles the cathodes are comprised of. During calendaring and cycling, cracks develop within cathode…

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