Results 211 to 220 of about 6,513,025 (253)

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

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

Multiferroic‐Centric Materials and Systems Engineering for Battery Applications: An Insight Into Mechanisms, Strategies, and Characterizations

open access: yesAdvanced Science, EarlyView.
Multiferroic order parameters – polarization, magnetization, and ferroelastic strain – are positioned as dynamic design variables for batteries. Their mechanistic roles, practical tuning through fabrication and external fields, and ferroic‐resolved characterization routes are unified into a closed‐loop framework, revealing how coupled ferroic responses
Jiaqi Su   +13 more
wiley   +1 more source

Unveiling a Hidden Conversion Pathway in CoSe2 Anodes via Rationally Designed CNT‐Interwoven Hollow Carbon Microclusters for High‐Performance Potassium‐Ion Batteries

open access: yesAdvanced Science, EarlyView.
A rational architectural design of hierarchical, CNT‐interwoven hollow carbon microclusters unlocks and stabilizes a unique monoclinic Co3Se4‐mediated conversion–insertion pathway for potassium storage. This structural confinement effectively guides the reaction kinetics and accommodates severe mechanical strain.
Ho Rim Kim   +8 more
wiley   +1 more source

Resolving and Controlling Silicoaluminophosphate Zeolite Intergrowths and Mixtures

open access: yesAdvanced Science, EarlyView.
Low‐dose electron microscopy enables atomic‐resolution imaging of beam‐sensitive SAPO‐34/18 intergrowths, revealing their stacking sequences and spatial distributions under controlled Si content and SDA ratio. This work establishes a methodology linking controllable synthesis with atomic‐resolution microscopy to investigate structure–property ...
Yuxin Ke   +10 more
wiley   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

open access: yesAdvanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai   +3 more
wiley   +1 more source

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