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Heterogeneous catalysts possess complex surface and bulk structures, relatively poor intrinsic contrast, and often a sparse distribution of the catalytic nanoparticles (NPs), posing a significant challenge for image segmentation, including…

材料科学 · 物理学 2022-01-20 Arda Genc , Libor Kovarik , Hamish L. Fraser

Machine Learning (ML) and Deep Learning (DL) based framework have evolved rapidly and generated considerable interests for predicting the properties of materials. In this work, we utilize ML-DL framework to predict the electrochemical…

Understanding degradation in battery cathodes and other functional materials requires simultaneous knowledge of structural, chemical, and electronic changes in three dimensions (3D). Here, we present a simultaneous ADF-EDS-EELS tomography…

Distributions of potential and lithium content inside lithium ion batteries highly affects their performance and durability. An increased heterogeneity of the lithium distribution is expected in thick electrodes with high energy densities…

Artificial intelligence (AI) has emerged as a tool for discovering and optimizing novel battery materials. However, the adoption of AI in battery cathode representation and discovery is still limited due to the complexity of optimizing…

材料科学 · 物理学 2024-05-14 Peichen Zhong , Bowen Deng , Tanjin He , Zhengyan Lun , Gerbrand Ceder

Mathematical modeling of lithium-ion batteries (LiBs) is a primary challenge in advanced battery management. This paper proposes two new frameworks to integrate physics-based models with machine learning to achieve high-precision modeling…

计算工程、金融与科学 · 计算机科学 2024-08-23 Hao Tu , Scott Moura , Yebin Wang , Huazhen Fang

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,…

材料科学 · 物理学 2019-08-23 Ataollah Mesgarnejad , Alain Karma

Slow ionic transport and high voltage drop (IR drop) of homogeneous porous electrodes are the critical causes of severe performance degradation of lithium-ion (Li-ion) batteries under high charging rates. Herein, we demonstrate that a…

材料科学 · 物理学 2021-07-30 Chenxi Sui , Yao-Yu Li , Xiuqiang Li , Genesis Higueros , Keyu Wang , Wanrong Xie , Po-Chun Hsu

Lithium iron phosphate (LiFePO$_4$) is the prototypical two-phase battery material, whose complex patterns of lithium ion intercalation provide a testing ground for theories of electrochemical thermodynamics. Using a depth-averaged (a-b…

化学物理 · 物理学 2018-08-21 Daniel A. Cogswell , Martin Z. Bazant

The important peaks related to the physical properties of a lithium ion rechargeable battery were extracted from the measured X ray diffraction spectrum by a convolutional neural network based on the Attention mechanism. Among the deep…

机器学习 · 统计学 2020-06-03 Koichi Kano , Takashi Segi , Hiroshi Ozono

Deep learning (DL) has indeed emerged as a powerful tool for rapidly and accurately predicting materials properties from big data, such as the design of current commercial Li-ion batteries. However, its practical utility for multivalent…

材料科学 · 物理学 2022-01-13 Xiuying Zhang , Jun Zhou , Jing Lu , Lei Shen

LixTMO2 (TM=Ni, Co, Mn) forms an important family of cathode materials for Li-ion batteries, whose performance is strongly governed by Li composition-dependent crystal structure and phase stability. Here, we use LixCoO2 (LCO) as a model…

计算工程、金融与科学 · 计算机科学 2023-02-20 G. H. Teichert , S. Das , M. Faghih Shojaei , J. Holber , T. Mueller , L. Hung , V. Gavini , K. Garikipati

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…

X-ray Photoelectron Spectroscopy (XPS) is a powerful technique to probe chemical states and interfacial processes in battery materials, but a quantitative interpretation is often hindered by the complex, heterogeneous microstructures that…

The degradation mechanism in a sodium cell of a layered Na0.48Al0.03Co0.18Ni0.18Mn0.47O2 (NCAM) cathode with P3/P2 structure is investigated by revealing the changes in microstructure and composition upon cycling. The work aims to…

The properties of rechargeable lithium-ion batteries are determined by the electrochemical and kinetic properties of their constituent materials as well as by their underlying microstructure. Microstructural design can be leveraged to…

材料科学 · 物理学 2022-03-11 Giovanna Bucci , Tushar Swamy , W. Craig Carter , Morad Behandish

Battery interfaces critically influence lithium-metal battery performance through their role in ion diffusion and dendrite formation. However, structural characterization of these interfaces has remained challenging due to limitations in…

材料科学 · 物理学 2025-05-08 Hyeongjun Koh , Eric Detsi , Eric A. Stach

The development of supercapacitors is impeded by the unclear relationships between nanoporous electrode structures and electrochemical performance, primarily due to challenges in decoupling the complex interdependencies of various…

材料科学 · 物理学 2025-01-17 Zhenxiang Wang , Taizheng Wu , Liang Zeng , Jiaxing Peng , Ding Yu , Ming Gao , Guang Feng

Understanding (de)lithiation heterogeneities in battery materials is key to ensuring optimal electrochemical performance and developing better energy storage devices. However, this remains challenging due to the complex three dimensional…

Energy efficient, safe and reliable Li-ion batteries (LIBs) are required for a wide range of applications. Charging capabilities of thick electrodes still holding their stored high-energy is a most desirable characteristic in future…