Multi-scale computation methods: Their applications in lithium-ion battery research and development

S Shi, J Gao, Y Liu, Y Zhao, Q Wu, W Ju… - Chinese …, 2015 - iopscience.iop.org
Based upon advances in theoretical algorithms, modeling and simulations, and computer
technologies, the rational design of materials, cells, devices, and packs in the field of lithium …

Understanding battery interfaces by combined characterization and simulation approaches: challenges and perspectives

D Atkins, E Ayerbe, A Benayad… - Advanced Energy …, 2022 - Wiley Online Library
Driven by the continuous search for improving performances, understanding the
phenomena at the electrode/electrolyte interfaces has become an overriding factor for the …

Different roles of ionic liquids in lithium batteries

A Eftekhari, Y Liu, P Chen - Journal of Power Sources, 2016 - Elsevier
Ionic liquids are often named solvents of the future because of flexibility in design. This
statement has given credence that ionic liquids should simply replace the problematic …

Towards smart electrolytic plasma technologies: An overview of methodological approaches to process modelling

EV Parfenov, A Yerokhin, RR Nevyantseva… - Surface and Coatings …, 2015 - Elsevier
This paper reviews the present understanding of electrolytic plasma processes (EPPs) and
approaches to their modelling. Based on the EPP type, characteristics and classification, it …

Simulation and experiment on solid electrolyte interphase (SEI) morphology evolution and lithium-ion diffusion

P Guan, L Liu, X Lin - Journal of The Electrochemical Society, 2015 - iopscience.iop.org
In this study, a phase-field model is developed to simulate the microstructure morphology
evolution that occurs during solid electrolyte interphase (SEI) growth. Compared with other …

Modeling the solid electrolyte interphase: Machine learning as a game changer?

D Diddens, WA Appiah, Y Mabrouk… - Advanced Materials …, 2022 - Wiley Online Library
The solid electrolyte interphase (SEI) is a complex passivation layer that forms in situ on
many battery electrodes such as lithium‐intercalated graphite or lithium metal anodes. Its …

Numerical simulation of the factors affecting the growth of lithium dendrites

W Mu, X Liu, Z Wen, L Liu - Journal of Energy Storage, 2019 - Elsevier
The secondary lithium battery using lithium metal as a negative electrode has attracted more
attention due to its extremely high theoretical specific energy. During the charge and …

Towards autonomous high-throughput multiscale modelling of battery interfaces

Z Deng, V Kumar, FT Bölle, F Caro… - Energy & …, 2022 - pubs.rsc.org
To date, battery research largely follows an “Edisonian” approach based on experimental
trial-and-error in contrast to a systematic strategy of design-of-experiments. Battery …

Computational modeling of Li-ion batteries

D Grazioli, M Magri, A Salvadori - Computational Mechanics, 2016 - Springer
This review focuses on energy storage materials modeling, with particular emphasis on Li-
ion batteries. Theoretical and computational analyses not only provide a better …

Dynamics and morphology of solid electrolyte interphase (SEI)

F Single, B Horstmann, A Latz - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
We develop a novel theory for the continuous electrochemical formation of porous films to
study the solid electrolyte interphase (SEI) on lithium ion battery anodes. Existing SEI …