Results 41 to 50 of about 14,327,559 (281)

Ontology‐Aligned Structuring and Reuse of Multimodal Materials Data and Workflows Toward Automatic Reproduction

Advanced Engineering Materials, EarlyView.
Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari, Abril Azocar Guzman, Sarath Menon, Stefan Sandfeld, Tilmann Hickel, Markus Stricker   +5 more
wiley   +1 more source

Patankar-type Linear Multistep Schemes [PDF]

Numerous real-world phenomena involve the interplay between processes of production and decay or consumption and can be therefore modeled by positive and conservative Production-Destruction differential Systems (PDS).
Giuseppe Izzo, Eleonora Messina, Mario Pezzella, Antonia Vecchio   +3 more
core   +1 more source

FastNano Liquid: An Automated Platform for Small‐Angle X‐ray Scattering‐Based Materials Discovery

Advanced Engineering Materials, EarlyView.
We present FastNano Liquid, an automated small‐ and wide‐angle X‐ray scattering platform for the combined synthesis and characterization of (nano)materials. The platform is coupled to varied reactor workflows for both in situ studies of reaction kinetics and ex situ screening of synthesis conditions to support machine learning‐guided exploration ...
Pierre‐Baptiste Flandrin, Émeline Cournède, Jens Krarup, Michael Lesa, Foyzul Hasan, Amandine Séné, Arnaud Lahouati, David Benhaiem, Jérémie‐Luc Sanchez, Simon Delacroix, Thierry Gacoin, Fabienne Testard, Damien Faivre, David Carriere, Corinne Chevallard, Olivier Taché, Mark A. Levenstein   +16 more
wiley   +1 more source

Fully Additive Vertical Organic Electrochemical Transistors on Renewable and Compostable Substrates Enable Ultrasensitive Bioelectronics

Advanced Functional Materials, EarlyView.
Fully additive vertical organic electrochemical transistors (vOECTs) with channel‐length of 226 nm on a 50 µm compostable substrate achieve >106 current modulation and ∼36 mS transconductance. Ion‐selective integration enables 1.1 mA dec−1 sensitivity and 36 µm detection limit, highlighting a scalable platform for sustainable electronics and ...
Giulia Frusconi, Samuele Lavelli, Zsolt M. Kovács‐Vajna, Fabrizio Torricelli   +3 more
wiley   +1 more source

Water‐Compatible SuFEx‐Active Diazonium Linchpin Platform for Rapid Modular Diversification and On‐DNA Functionalization

Advanced Functional Materials, EarlyView.
Sulfur fluoride exchange (SuFEx) is a powerful click platform, yet water‐compatible multifunctional linchpins remain elusive. Here, we report decagram‐scalable diazonium linchpins that enable rapid Pd‐catalyzed diversification and direct, catalyst‐free on‐DNA ligation in aqueous media.
Seok Ju Hong, Dong Hyeon Kim, Yujin Lim, Yongseok Kwon, Sangkyu Lee, Han Yong Bae   +5 more
wiley   +1 more source

An Implicit Collocation Method for Direct Solution of Fourth Order Ordinary Differential Equations

Journal of Applied Sciences and Environmental Management, 2020
This paper presented a linear multistep method for solving fourth order initial value problems of ordinary differential equations. Collocation and interpolation methods are adopted in the derivation of the new numerical scheme which is further applied ...
B. Alechenu, D.O. Oyewola
doaj   +2 more sources

Biodegradable and Biocompatible Functional Polymers for Biomedical Applications

Advanced Functional Materials, EarlyView.
Biodegradable and biocompatible functional polymers integrate electrical, mechanical, and stimuli‐responsive functionalities while enabling programmed degradation under physiological conditions. This review introduces recent advances in conductive, shape‐memory, self‐healing, photocurable, and adhesive polymer systems, emphasizing material design ...
Won Bae Han, Shuvra Mondal, Sungkeun Han, Chan‐Hwi Eom, Venkata Ramesh Naganaboina, Suk‐Won Hwang   +5 more
wiley   +1 more source

Efficiency of 3-Additive Linear Multistep Methods for a Stiff Combustion Model

Mathematics
Efficient and accurate time integration is essential for simulating combustion processes with stiff, multiscale dynamics arising from diffusion, reaction, and advection interactions.
Raed Ali Mara’Beh, Pedro González Rodelas   +1 more
doaj   +1 more source

Ionic Precursors Transformed Into Vinyl Acetate Synthesis Catalyst via Reaction‐Driven Restructuring

Advanced Functional Materials, EarlyView.
This work demonstrates that a simple physical mixture of Pd and Au ionic precursors, KOAc promoter, and SiO2 support can transform into a highly active vinyl acetate synthesis catalyst through reaction‐driven restructuring. The results highlight reaction‐induced restructuring as an innovative and sustainable catalyst design strategy.
Byeong Jun Cha, Welman C. Elias, Hunter P. Jacobs, Kimberly N. Heck, Saghar Rezaie, Sadegh Yazdi, Kiheon Hong, Justin J. Dodson, Laiyuan Chen, Sean G. Mueller, Steven R. Alexander, Michael S. Wong   +11 more
wiley   +1 more source

Analysis of Fractional Linear Multi-Step Methods of Order Four from Super-Convergence

Sultan Qaboos University Journal for Science
We analyze two implicit fractional linear multi-step methods of order four for solving fractional initial value problems. The methods are derived from the Grunwald-Letnikov approximation of fractional derivative at a non-integer shift point with super ...
Haniffa Mohamed Nasir, Khadija Al Hasani
doaj   +1 more source