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Lithium-ion batteries rely on particulate porous electrodes to realize high performance, especially the fast-charging capability. To minimize the particle-wise reaction heterogeneities that may lead to local hot spots, deeper understandings…

Materials Science · Physics 2022-04-15 Shubham Agrawal , Peng Bai

A number of basic scientific questions relating to ion conduction in homogeneously disordered solids are discussed. The questions deal with how to define the mobile ion density, what can be learned from electrode effects, what is the ion…

Disordered Systems and Neural Networks · Physics 2009-11-13 Jeppe C. Dyre , Philipp Maass , Bernhard Roling , David L. Sidebottom

The solvation environments of Li$^+$ in conventional non-aqueous battery electrolytes, such as LiPF$_6$ in mixtures of ethylene carbaronate (EC) and ethyl methyl carbonate (EMC), are often used to rationalize the transport properties of…

Statistical Mechanics · Physics 2026-05-20 Zachary A. H. Goodwin , Daniel M. Markiewitz , Qisheng Wu , Yue Qi , Martin Z. Bazant

This study investigates the electrochemical behavior and decomposition pathways of four monomers, namely PMC, PMC-OH, PeMC-OH, and DEO-EA, which are potential candidates for polymer electrolytes in solid-state batteries. Density functional…

Chemical Physics · Physics 2024-08-15 Kazem Zhour , Andreas Heuer , Diddo Diddens

While machine learning (ML) in experimental research has demonstrated impressive predictive capabilities, inductive reasoning and knowledge extraction remain elusive tasks, in part because of the difficulty extracting fungible knowledge…

Materials Science · Physics 2021-06-22 Richa Ramesh Naik , Armi Tiihonen , Janak Thapa , Clio Batali , Zhe Liu , Shijing Sun , Tonio Buonassisi

A porous electrode resulting from unregulated Li growth is the major cause of the low Coulombic efficiency and potential safety hazards of rechargeable Li metal batteries. Strategies aiming to achieve large granular Li deposits have been…

Dielectric elastomers have significant potential for new technologies ranging from soft robots to biomedical devices, driven by their ability to display complex shape changes in response to electrical stimulus. However, an important…

Soft Condensed Matter · Physics 2025-01-09 Daniel Katusele , Carmel Majidi , Pradeep Sharma , Kaushik Dayal

High-entropy oxides (HEOs) offer a unique platform for exploring the thermodynamic interaction between configurational entropy and enthalpy in stabilizing complex solid solutions. In this study, a series of rock-salt structured oxides with…

Materials Science · Physics 2025-10-13 Ashutosh Kumar , Adrien Moll , Jitendra Kumar , Diana Dragoe , David Bérardan , Nita Dragoe

The formation of passivating films is a common aging phenomenon, for example in weathering of rocks, silicon, and metals. In many cases, a dual-layer structure with a dense inner and a porous outer layer emerges. However, the origin of this…

Computational Physics · Physics 2022-12-01 Lars von Kolzenberg , Martin Werres , Jonas Tetzloff , Birger Horstmann

Modern compound prediction methods can efficiently screen large numbers of crystal structure phases and direct the experimental search for new materials. One of the most challenging problems in alloy theory is the identification of stable…

Materials Science · Physics 2007-05-23 Aleksey N. Kolmogorov , Stefano Curtarolo

It is shown that surface conduction can stabilize electrodeposition in random, charged porous media at high rates, above the diffusion-limited current. After linear sweep voltammetry and impedance spectroscopy, copper electrodeposits are…

Chemical Physics · Physics 2016-03-24 Ji-Hyung Han , Miao Wang , Peng Bai , Fikile R. Brushett , Martin Z. Bazant

Using nonequilibrium molecular dynamics (NEMD) simulations, we study the properties of supercooled liquids of Si under shear at T=1060K over a range of densities encompassing the low-density liquid (LDL) and high-density liquid (HDL) forms.…

Soft Condensed Matter · Physics 2020-08-11 Caroline Desgranges , Jerome Delhommelle

Analysis of lithiation and delithiation kinetics in pulse-laser-deposited crystalline thin-film silicon (Si) electrodes is presented. Data from open-circuit relaxation experiments are used in conjunction with a model based on Tafel kinetics…

Materials Science · Physics 2013-01-04 Vijay A. Sethuraman , Venkat Srinivasan , John Newman

Alkali metal anodes paired with solid ion conductors offer promising avenues for enhancing battery energy density and safety. To facilitate rapid ion transport crucial for fast charging and discharging, it is essential to understand point…

Materials Science · Physics 2024-09-13 Md Salman Rabbi Limon , Zeeshan Ahmad

We consider a phenomenological continuum theory for an extensile, overdamped active nematic liquid crystal, applicable in the dense regime. Constructed from general principles, the theory is universal, with parameters independent of any…

Soft Condensed Matter · Physics 2015-06-12 Elias Putzig , Gabriel S. Redner , Arvind Baskaran , Aparna Baskaran

Solid electrolytes are widely considered as the enabler of lithium metal anodes for safe, durable, and high energy density rechargeable lithium-ion batteries. Despite the promise, failure mechanisms associated with solid-state batteries are…

Applied Physics · Physics 2022-05-04 Zeeshan Ahmad , Victor Venturi , Shashank Sripad , Venkatasubramanian Viswanathan

Uncontrollable dendrites growth during electrochemical cycles leads to low Coulombic efficiency and critical safety issues in Li metal batteries. Hence, a comprehensive understanding of the dendrite formation mechanism is essential for…

Electrochemical degradation of solid electrolytes is a major roadblock in the development of solid-state batteries, and the formed solid-solid interphase (SSI) plays a key role in the performance of solid-state batteries. In this study, by…

We analyse numerically a pinch-type instability in a semi-infinite planar layer of inviscid conducting liquid bounded by solid walls and carrying a uniform electric current. Our model is as simple as possible but still captures the salient…

Fluid Dynamics · Physics 2017-03-14 Jānis Priede

It is increasingly common for models of shallow-layer overland flows to include equations for the evolution of the underlying bed (morphodynamics) and the motion of an associated sedimentary phase. We investigate the linear stability…

Fluid Dynamics · Physics 2021-07-01 Jake Langham , Mark J. Woodhouse , Andrew J. Hogg , Jeremy C. Phillips