Results 211 to 220 of about 190,584 (312)

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

open access: yesAdvanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano   +5 more
wiley   +1 more source

Ferroelectric Dynamic‐Field‐Driven Nucleation and Growth Model for Predictive Materials‐To‐Circuit Co‐Design

open access: yesAdvanced Materials, EarlyView.
This study presents a compact dynamic‐field‐driven nucleation and growth (DFNG) model that captures ferroelectric switching behavior under arbitrary voltage waveforms. It enables extraction of time‐dependent domain wall velocity and growth dimensionality, which can then be extended to device‐level modeling.
Yi Liang   +10 more
wiley   +1 more source

E. coli Extracellular Matrix: A Tunable Composite With Hierarchical Structure

open access: yesAdvanced Materials, EarlyView.
The complex composite‐like mechanical behavior of E. coli biofilm matrix is the result of a synergic contribution of the rigid curli and swelling pEtN‐cellulose, and emerges from specific ratio and assembly conditions. The interactions between the two fibers govern biofilm hydration and characteristic wrinkling patterns, providing crucial insights for ...
Macarena Siri   +7 more
wiley   +1 more source

Soft, Degradable, and Magnetic Microcarriers for Encapsulation and Guided Transport of Drugs and 3D Spheroids

open access: yesAdvanced Materials, EarlyView.
This work presents soft, degradable hydrogel microcarriers that combine magnetic responsiveness with the ability to host multiple therapeutic and cellular components. Produced by droplet microfluidics, the carriers maintain structural integrity during manipulation, permit controlled breakdown under physiological conditions, and enable guided motion for
Xuan Peng   +18 more
wiley   +1 more source

A Survey of Interlayer Interaction Models for Graphene and Other 2D Materials

open access: yesAdvanced Materials Interfaces, EarlyView.
Van der Waals interactions arising from electronic polarization at atomically close interfaces generate corrugated interlayer energy landscapes that govern normal and tangential tractions. This review presents an overview of quantum, atomistic, analytical, and continuum modeling approaches, highlighting their roles across length scales in capturing ...
Gourav Yadav   +2 more
wiley   +1 more source

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