Results 191 to 200 of about 3,354,944 (245)

Interpretable Machine Learning Framework for Nb─Si Based Alloy Design with Enhanced Fracture Toughness

open access: yesAdvanced Science, EarlyView.
An interpretable machine learning framework integrating SHAP and PDP analysis identifies critical design descriptors from 139 physicochemical features for Nb─Si alloys. The framework achieves <7% prediction error and guides the discovery of Nb38.5Ti38.5Si3Zr18V2 alloy with 22.791 MPa·m1/2 fracture toughness, breaking the 20 MPa·m1/2 barrier.
Dezhi Chen   +7 more
wiley   +1 more source

Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design

open access: yesAdvanced Science, EarlyView.
A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram   +4 more
wiley   +1 more source

REAPER: a project-centric workflow layer for comparative repeatome analysis. [PDF]

open access: yesFront Plant Sci
Ulyanov DS   +5 more
europepmc   +1 more source

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

open access: yesAdvanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

Learning Moisture‐Induced Damage From Vision: Diffusion Models for Real‐Time Monitoring of Additive Manufacturing Processes

open access: yesAdvanced Science, EarlyView.
We introduce a vision‐based real‐time monitoring system for additive manufacturing that detects subtle moisture‐induced degradation via a diffusion model‐based framework. The approach enables nondestructive assessment of moisture‐induced damage level and mechanical performance and establishes a practical route toward more intelligent, reliable, and ...
Jiyoung Jung   +4 more
wiley   +1 more source

Electrolyte–Framework Matching in High‐Voltage TEMPO‐COF Cathodes for Lithium Batteries

open access: yesAdvanced Science, EarlyView.
TEMPO‐functionalized covalent organic frameworks are investigated as high‐voltage cathodes for lithium batteries. Screening five electrolyte anions identifies lithium difluoro(oxalato)borate (LiDFOB) as the optimal electrolyte, balancing capacity, rate capability, and cycling stability, while buckypaper electrodes achieve high mass loading (40 mg cm−2)
Marilyn Esclance DMello   +5 more
wiley   +1 more source

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