Results 211 to 220 of about 3,908,903 (353)

Atomistic Insights Into Lithium Alloying and Crystallization at Metal Interlayers in Zero‐Excess Lithium Batteries

open access: yesAdvanced Energy Materials, EarlyView.
Molecular dynamics simulations with machine learning potentials, combined with experiments, reveal how interlayer metals govern Li alloying and crystallization in zero‐excess lithium batteries. Mg and Zn promote solid‐solution alloy‐mediated pathways that influence Li diffusion and structural uniformity, while Bi forms ordered intermetallics with more ...
Neubi F. Xavier Jr.   +10 more
wiley   +1 more source

Effect of microstructure on hydrogen permeation and trapping in natural gas pipeline steels. [PDF]

open access: yesNpj Mater Degrad
Islam A   +5 more
europepmc   +1 more source

A Semi Empirical Regression Model for Critical Dent Depth of Externally Corroded X65 Gas Pipeline. [PDF]

open access: yesMaterials (Basel), 2022
Yang Y   +7 more
europepmc   +1 more source

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

open access: yesAdvanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park   +19 more
wiley   +1 more source

Exploring Quantum Support Vector Regression for Predicting Hydrogen Storage Capacity of Nanoporous Materials

open access: yesAdvanced Intelligent Discovery, EarlyView.
In this study we employed support vector regressor and quantum support vector regressor to predict the hydrogen storage capacity of metal–organic frameworks using structural and physicochemical descriptors. This study presents a comparative analysis of classical support vector regression (SVR) and quantum support vector regression (QSVR) in predicting ...
Chandra Chowdhury
wiley   +1 more source

Deep Learning‐Assisted Design of Mechanical Metamaterials

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review examines the role of data‐driven deep learning methodologies in advancing mechanical metamaterial design, focusing on the specific methodologies, applications, challenges, and outlooks of this field. Mechanical metamaterials (MMs), characterized by their extraordinary mechanical behaviors derived from architected microstructures, have ...
Zisheng Zong   +5 more
wiley   +1 more source

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