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Elastic interactions arising from a difference of lattice spacing between two coherent phases can have a strong influence on the phase separation (coarsening) of alloys. If the elastic moduli are different in the two phases, the elastic…

Mathematical Physics · Physics 2015-06-26 P. Fratzl , O. Penrose , J. L. Lebowitz

In this article, a pioneering study is presented where the intermittent current interruption method is used to characterize the aging behavior of commercial lithium ion batteries. With a very resource-efficient implementation, this method…

Chemical Physics · Physics 2021-11-09 Zeyang Geng , Torbjörn Thiringer , Matthew J. Lacey

It is of critical importance to understand the mechanical properties change of electrode materials during lithium intercalation in the mechanical design of Li-ion batteries, for the purpose of the high reliability and safety in their…

Materials Science · Physics 2020-01-07 Gao Xu , Yanyu Liu , Jiawang Hong , Daining Fang

The transmission electron microscopy observations of the charge ordering (CO) which governs the electronic polarization in LuFe2O4-x clearly show the presence of a remarkable phase separation at low temperatures. Two CO ground states are…

Strongly Correlated Electrons · Physics 2015-05-14 H. X. Yang , H. F. Tian , Y. Zhang , Y. B. Qin , L. J. Zeng , C. Ma , H. L. Shi , J. B. Lu , J. Q. Li

Metal components are extensively used as current collectors, anodes, and interlayers in lithium-ion batteries. Integrating these functions into one component enhances the cell energy density and simplifies its design. However, this…

The diversified essential properties of the stage-n graphite alkali-intercalation compounds are thoroughly explored by the first-principles calculations. According to their main features, the lithium and non-lithium materials might be quite…

Materials Science · Physics 2020-06-23 Wei-bang Li , Ngoc Thanh Thuy Tran , Shih-yang Lin , Ming-Fa Lin

Despite decades of study, the identity of the dominant \ce{Li+}-conducting phase within the inorganic SEI of Li-ion batteries remains unresolved. While the mosaic model describes LiF/\ce{Li2O}/\ce{Li2CO3} nanocrystallites within a…

Materials Science · Physics 2025-12-16 Peichen Zhong , Kristin A. Persson

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

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

The key factors governing the single-phase or multi-phase structural change behaviors during the intercalation/deintercalation of guest ions have not been well studied and understood yet. Through systematic studies of orthorhombic…

Disorder-driven degradation phenomena, such as structural phase transformations and surface reconstructions, can significantly reduce the lifetime of Li-ion batteries, especially those with nickel-rich layered-oxide cathodes. We develop a…

Chemical Physics · Physics 2023-04-25 Debbie Zhuang , Martin Z. Bazant

It is widely believed that the origin of a significant cause for the voltage and capacity fading observed in lithium (Li)-ion batteries is related to structural modifications occurring in the cathode material during the Li-ion…

As an anode material for lithium-ion batteries, amorphous silicon offers a significantly higher energy density than the graphite anodes currently used. Alloying reactions of lithium and silicon, however, induce large deformation and lead to…

Numerical Analysis · Mathematics 2024-08-07 Raphael Schoof , Johannes Niermann , Alexander Dyck , Thomas Böhlke , Willy Dörfler

Next-generation lithium-ion batteries with silicon anodes have positive characteristics due to higher energy densities compared to state-of-the-art graphite anodes. However, the large volume expansion of silicon anodes can cause high…

Numerical Analysis · Mathematics 2024-04-03 R. Schoof , G. F. Castelli , W. Dörfler

We propose a model describing the phase behavior of two-component membranes consisting of binary mixtures of electrically charged and neutral lipids. We take into account the structural phase transition (main-transition) of the hydrocarbon…

Soft Condensed Matter · Physics 2016-07-11 Naofumi Shimokawa , Hiroki Himeno , Tsutomu Hamada , Masahiro Takagi , Shigeyuki Komura , David Andelman

We describe a phase-field model for the electrodeposition process that forms dendrites within metal-anode batteries. We derive the free energy functional model, arriving at a system of partial differential equations that describe the…

Computational Physics · Physics 2022-04-21 Marcos E. Arguello , Nicolas A. Labanda , Victor M. Calo , Monica Gumulya , Ranjeet Utikar , Jos Derksen

We study the thermodynamic behavior of nonpolar liquid mixtures in the vicinity of curved charged objects, such as electrodes or charged colloids. For small enough charge on the object, or equivalently, small potential, the…

Statistical Mechanics · Physics 2009-11-13 Gilad Marcus , Sela Samin , Yoav Tsori

Here we show the description of the full incorporation thermodynamics in nanocrystalline LixFePO4 where the full range from x=0 to 1 is experimentally accessible. The following points are most important: the treatment in terms of the…

Materials Science · Physics 2023-04-03 Yue Zhu , Joachim Maier

Lithium metal batteries suffer from low cycle life. During discharge, parts of the lithium are not stripped reversibly and remain isolated from the current collector. This isolated lithium is trapped in the insulating remaining…

Chemical Physics · Physics 2023-01-11 Martin Werres , Yaobin Xu , Hao Jia , Chongmin Wang , Wu Xu , Arnulf Latz , Birger Horstmann

We present a continuum model for symmetry-breaking phase transformations in intercalation compounds, based on Ericksen's multi-well energy formulation. The model predicts the nucleation and growth of crystallographic microstructures in…

Materials Science · Physics 2025-05-29 Delin Zhang , Ananya Renuka Balakrishna