Results 161 to 170 of about 369,121 (287)

Mixed Alkali Effect in Alkali Metasilicate Glasses [PDF]

open access: yesProgress of Theoretical Physics Supplement, 1997
Junko Habasaki   +2 more
openaire   +1 more source

Ether‐Based Electrolytes and the Solvation Structure in Sodium Ion Batteries

open access: yesAdvanced Energy Materials, EarlyView.
Ether electrolytes enable high‐performance sodium‐ion batteries through their unique physicochemical properties, particularly distinctive solvation structures and co‐intercalation behavior. However, the localized solvation structure and its dynamic evolution during electrochemical processes remain a “black box”.
Jiaxin Ding, John T. S. Irvine
wiley   +1 more source

Machine learning driven many‐objective moving horizon scheduling optimization

open access: yesAIChE Journal, EarlyView.
Abstract Industrial electrification can decarbonize chemical manufacturing, but it exposes operations to volatile electricity prices and carbon intensities. This work develops a machine learning‐enhanced many‐objective moving horizon scheduling framework that predicts objective correlation groupings from 48‐hour price and emission‐intensity profiles ...
Hongxuan Wang, Andrew Allman
wiley   +1 more source

Admixtures for concrete and mortar with MgO-based binders: a review from RILEM TC 311-MBC. [PDF]

open access: yesMater Struct
Müller M   +10 more
europepmc   +1 more source

Deep Learning–Based Extraction of Promising Material Groups and Common Features from High‐Dimensional Data: A Case of Optical Spectra of Inorganic Crystals

open access: yesAdvanced Intelligent Discovery, EarlyView.
We report a novel interpretation method for deep learning models based on feature extraction and clustering. Applying this method to an atomistic line graph neural network (ALIGNN) model trained on optical absorption spectra of 2,681 inorganic compounds obtained from first‐principles calculations, we successfully identify key factors underlying ...
Akira Takahashi   +3 more
wiley   +1 more source

Operando Identification of the Active Phase in Sr‐Promoted Lanthanum Cobaltite Perovskite‐Derived Catalysts for Ammonia Decomposition

open access: yesAngewandte Chemie, EarlyView.
Ammonia decomposition catalyzed by base metals: Exsolution of cobalt from perovskites prepared by spray‐flame synthesis (SFS) yields highly active, SrO‐promoted Co/La2O3 catalysts with low cobalt content. Operando studies provide insight into the function of the promoter. Dynamic surface reconstruction under operating conditions increases the interface
Barış Alkan   +16 more
wiley   +2 more sources

Interpretable Machine Learning for Bandgap Prediction and Descriptor‐Guided Design Rules of Phosphates

open access: yesAdvanced Intelligent Discovery, EarlyView.
An explainable CatBoost model was trained to predict the bandgaps of 474 phosphate crystals based on composition and density descriptors. SHAP analysis identified two key variables—d‐electron‐count dispersion and atomic‐density dispersion—as the primary drivers of the model's predictions.
Wenhu Wang   +3 more
wiley   +1 more source

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