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DC electrical degradation as a form of dielectric and resistance breakdown is a common phenomenon in thin-film devices including resistance-switching memory. To obtain design data and to probe the degradation mechanism, highly accelerated…

Materials Science · Physics 2019-07-17 Ana Alvarez , Yanhao Dong , I-Wei Chen

Surface stresses, in nano-sized anode particles undergoing chemomechanical interactions, have a relaxing effect on the diffusion-induced stresses thus improving the mechanical endurance of the particles, whereas, the compressive effect of…

Soft Condensed Matter · Physics 2021-02-23 Amrita Sengupta , Jeevanjyoti Chakraborty

This study examines the distribution and evolution of lithium in both anode and cathode materials of commercial lithium-ion coin cells subjected to high C-rate cycling, providing insights into the mechanisms of lithium loss, trapping, and…

A deep understanding of defects is essential for the optimisation of materials for solar energy conversion. This is particularly true for metal oxide photo(electro)catalysts, which typically feature high concentrations of charged point…

Materials Science · Physics 2022-05-06 Ernest Pastor , Michael Sachs , Shababa Selim , James R. Durrant , Artem A. Bakulin , Aron Walsh

Polyelectrolytes under confinement are crucial for energy storage and for understanding biomolecular functions. Using molecular dynamics simulations, we analyze a polyelectrolyte solution confined between two oppositely charged planar…

Statistical Mechanics · Physics 2019-06-05 Debarshee Bagchi , Trung Dac Nguyen , Monica Olvera de la Cruz

In this study, we address the challenge of electrolyte degradation in all-solid-state humidified Li-$O_2$ batteries, which offer high theoretical energy density and potential cost advantages over conventional lithium-ion batteries.…

Accumulation of plastic waste is a major environmental problem. Enzymes, particularly esterases, play an important role in the biodegradation of polyesters. These enzymes are usually only active on aliphatic polyesters, but a few have…

Biomolecules · Quantitative Biology 2019-04-01 Beatriz C. Almeida , Pedro Figueiredo , Alexandra T. P. Carvalho

Recent years have seen a rapidly escalating demand for battery technologies capable of storing more energy, charging more quickly and having longer usable lifetimes, driven largely by increased electrification of transport and by grid-scale…

Parameterisation of coupled degradation mechanisms in lithium-ion batteries is a major challenge. Interactions between the mechanisms depend on usage conditions: C-rate, rest state-of-charge (SoC), depth-of-discharge (DoD) and temperature.…

Materials Science · Physics 2026-04-13 Ganesh Madabattula

An application for high-performance computing (HPC) is shown that is relevant in the field of battery development. Simulations of electrolyte wetting and flow are conducted using pore network models (PNM) and the lattice Boltzmann method…

Computational Engineering, Finance, and Science · Computer Science 2024-01-22 Benjamin Kellers , Martin P. Lautenschlaeger , Julius Weinmiller , Lukas Krumbein , Simon Hein , Timo Danner , Arnulf Latz

The hydrogen oxidation reaction (HOR) and hydrogen evolution reaction (HER) play an important role in hydrogen based energy conversion. Recently, the frustrating performance in alkaline media raised debates on the relevant mechanism,…

Materials Science · Physics 2022-07-05 Ling Liu , Yuyang Liu , Chungen Liu

Laboratory and numerical corrosion experiments impose an electric potential on the metal surface, differing from natural corrosion conditions, where corrosion typically occurs in the absence of external current sources. In this work, we…

Chemical Physics · Physics 2023-05-23 Tim Hageman , Carmen Andrade , Emilio Martínez-Pañeda

This work investigates two physics-based models that simulate the non-linear partial differential algebraic equations describing an electric double layer supercapacitor. In one model the linear dependence between electrolyte concentration…

Systems and Control · Computer Science 2014-12-09 Ross Drummond , David A. Howey , Stephen R. Duncan

The structural relaxation, potential energy states, and mechanical properties of a model glass subjected to thermal cycling are investigated using molecular dynamics simulations. We study a non-additive binary mixture which is annealed with…

Soft Condensed Matter · Physics 2018-12-05 Nikolai V. Priezjev

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

The characteristics of atmospheric-pressure microdischarges excited by nanosecond high-voltage pulses are investigated in helium-nitrogen mixtures, as a function of the parameters of the excitation voltage pulses. In particular, cases of…

Plasma Physics · Physics 2019-09-04 Zoltan Donko , Satoshi Hamaguchi , Timo Gans

The free standing solid polymer nanocomposite films has been prepared through standard solution cast technique. The improvement in structural, microstructural and electrochemical properties has been observed on the dispersion of nanofiller…

Materials Science · Physics 2018-07-16 Anil Arya , A. L. Sharma

Titration of methacrylic acid / ethyl-acrylate copolymers is studied experimentally and theoretically. At low salt concentrations, this polyacid exhibits a plateau in the titration curve below the neutralization point. The plateau has been…

Soft Condensed Matter · Physics 2007-05-23 I. Borukhov , D. Andelman , R. Borrega , M. Cloitre , L. Leibler , H. Orland

When a charged particle moves through a plasma at a speed much higher than the thermal velocity of the plasma, it is subjected to the force of the electrostatic field induced in the plasma by itself and loses its energy. This process is…

Computational Physics · Physics 2013-12-20 Tsunehiko N. Kato

In this paper, we compare the performance of 8 PZT ceramics and one PMN-PT material for typical bending actuator applications. This includes the measurement of non-linear transverse charge coefficient at high electric field strength and…

Applied Physics · Physics 2019-02-08 Binal P Bruno , Ahmed Raouf Fahmy , Moritz Stürmer , Ulrike Wallrabe , Matthias C Wapler