Results 151 to 160 of about 73,516 (293)

FIRE‐GNN: Force‐Informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu   +5 more
wiley   +1 more source

Construction of Composite Slab by Using Prestressed OMNIA Slab System

open access: yesConcrete Journal, 1978
Akira Takigami   +3 more
openaire   +2 more sources

Interface Stability and Kinetics of Sulfide Electrolytes in all‐Solid‐State Batteries

open access: yesAngewandte Chemie International Edition, EarlyView.
We reveal the chemical and electrochemical stability among cathode types and functional materials in contact with sulfide‐based electrolytes, the role of cathode charged states in interfacial reactions, and the corresponding volume changes at the interface.
Kangli Wang   +3 more
wiley   +1 more source

Combined Gravimetric, Electrochemical, and Computational Research on Benzothiophene Derivatives as Effective Corrosion Inhibitors for Mild Steel

open access: yesAsia-Pacific Journal of Chemical Engineering, EarlyView.
ABSTRACT Four benzothiophenes, thianaphthene (BT‐1), 3‐bromothianaphthene (BT‐2), benzo[b]thiophene‐2‐carboxaldehyde (BT‐3), and benzo[b]thiophene‐2‐carbonitrile (BT‐4), were tested as mild steel corrosion inhibitors in 1‐M HCl. The compounds have the similar benzothiophene core but differ in the substituents bound to the ring.
Nhlanhla G. Chirwa   +3 more
wiley   +1 more source

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