Results 191 to 200 of about 15,714,929 (285)

Artificial Intelligence for Fluorite Ferroelectric Materials: From Discovery to Optimization

open access: yesAdvanced Electronic Materials, EarlyView.
Artificial intelligence accelerates the discovery and optimization of HfO2‐based fluorite ferroelectrics by linking synthesis, structure, properties, and device performance. Machine learning, deep‐learning analysis, and AI‐driven atomistic modeling enable predictive design, dopant screening, and closed‐loop optimization toward next‐generation ...
Faizan Ali   +3 more
wiley   +1 more source

Prediction of Structural Stability of Layered Oxide Cathode Materials: Combination of Machine Learning and Ab Initio Thermodynamics

open access: yesAdvanced Energy Materials, EarlyView.
In this work, we developed a phase‐stability predictor by combining machine learning and ab initio thermodynamics approaches, and identified the key factors determining the favorable phase for a given composition. Specifically, a lower TM ionic potential, higher Na content, and higher mixing entropy favor the O3 phase.
Liang‐Ting Wu   +6 more
wiley   +1 more source

Thermo-Mechanical Deformation, Jamming Risk and Life Management of Main Steam Valves in Ultra-Supercritical Steam Turbines: A Short Review. [PDF]

open access: yesMaterials (Basel)
Huang W   +11 more
europepmc   +1 more source

Assessing Mesoscale Heterogeneities in Hard Carbon Electrodes Through Deep Learning‐Assisted FIB‐SEM Characterization, Manufacturing and Electrochemical Modeling

open access: yesAdvanced Energy Materials, EarlyView.
A combination of discrete and finite element method models for the current collector deformation and electrochemical performance analysis, respectively. The models are calibrated and validated with electrochemical and imaging data of hard carbon electrodes. These electrodes were manufactured with different parameters (slurry solid contents of 35 and 40
Soorya Saravanan   +12 more
wiley   +1 more source

Smart Exploration of Perovskite Photovoltaics: From AI Driven Discovery to Autonomous Laboratories

open access: yesAdvanced Energy Materials, EarlyView.
In this review, we summarize the fundamentals of AI in automated materials science, and review AI applications in perovskite solar cells. Then, we sum up recent progress in AI‐guided manufacturing optimization, and highlight AI‐driven high‐throughput and autonomous laboratories.
Wenning Chen   +4 more
wiley   +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

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