Results 191 to 200 of about 4,402 (241)

Segregation passivation makes cost-effective stainless steel resistant to corrosion and hydrogen embrittlement. [PDF]

Sci Adv
Cheng H, Luo H, Li Y, Rao Z, Zhao Q, Pan Z, Kong Q, Li X, Raabe D.   +8 more
europepmc   +1 more source

Why Physics Still Matters: Improving Machine Learning Prediction of Material Properties With Phonon‐Informed Datasets

Advanced Intelligent Discovery, EarlyView.
Phonons‐informed machine‐learning predictive models are propitious for reproducing thermal effects in computational materials science studies. Machine learning (ML) methods have become powerful tools for predicting material properties with near first‐principles accuracy and vastly reduced computational cost.
Pol Benítez, Cibrán López, Edgardo Saucedo, Teruyasu Mizoguchi, Claudio Cazorla   +4 more
wiley   +1 more source

Dynamic gating by ϕ-clamp loop controls peptide translocation through the anthrax toxin nanopore. [PDF]

Biophys J
Colby JM, Krantz BA.
europepmc   +1 more source

AI‐Guided Co‐Optimization of Advanced Field‐Effect Transistors: Bridging Material, Device, and Fabrication Design

Advanced Intelligent Discovery, EarlyView.
This article outlines how artificial intelligence could reshape the design of next‐generation transistors as traditional scaling reaches its limits. It discusses emerging roles of machine learning across materials selection, device modeling, and fabrication processes, and highlights hierarchical reinforcement learning as a promising framework for ...
Shoubhanik Nath, Shauryaraj K. Jilkar, Aditya Udgaonkar, Yu (Joe) Lu, Ali Mesbah   +4 more
wiley   +1 more source

CO2‐Induced Reverse Lattice Oxygen Spillover on Pt/CeO2 Enables Sulfur‐Resistant Dry Reforming of Methane

Angewandte Chemie, EarlyView.
A critical step, dry reforming of methane (DRM) converts biogas into useful syngas. Yet trace H2S in biogas rapidly poisons DRM catalysts, limiting practical use. We developed a robust Pt/CeO2 catalyst sustaining DRM activity via CO2‐induced reverse lattice oxygen spillover in H2S‐rich environments.
Jun Liu, Jiang Deng, Jiajia Zheng, Mohsen Beladi Mousavi, Chunning Sun, Jin Li, Xin Chen, Yongjie Shen, Haotian Huang, Ming Xie, Emiliano Cortés, Dengsong Zhang   +11 more
wiley   +2 more sources

BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs. [PDF]

Cryst Growth Des
Wood WP, Arhangelskis M, Bartůňková E, Bernardes CES, Boese AD, Braun DE, Bučar DK, Butkiewicz H, Červinka C, Civalleri B, Couvrat N, de Ronde E, Donà L, Dračínský M, Firaha D, Fulem M, Geronia Ii R, Goncharova N, Gryl M, Hoja J, Hoser A, Krzeszczakowska J, List A, Lončarić I, Mladineo B, Nyman J, Olehovics E, Raimondo M, Rietveld IB, Rodrigues RIS, Russo L, Salvalaglio M, Sarraguça M, Šnajdr J, Štejfa V, Sun G, Tinnemans P, Whitfield PS, Yang Z, Zhang Y, Price SL.   +40 more
europepmc   +1 more source

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

Light and Dark Cycles Control the Structural Evolution of Photoresponsive Supramolecular Systems

Angewandte Chemie, EarlyView.
Here, we report a photoswitchable synthetic peptide that, under light energy cycles, exhibits supramolecular polymorphism coupled to darkness‐driven structural self‐selection. We demonstrate that light sustains a transient assembled state in the form of helical nanoribbons, hindering the system from undergoing a transition to the disassembled state ...
Alejandro Méndez‐Ardoy, Nicolas Cissé, Adrian Sanchez‐Fernandez, Patricia Fulias‐Guzmán, Marc C. A. Stuart, Tibor Kudernac, Javier Montenegro   +6 more
wiley   +2 more sources

Temperature-pressure characteristics of CO₂ phase-transition blasting and the failure mechanism of fracturing tubes. [PDF]

Sci Rep
Chen Z, Yuan Y, Li B, Qin Z, Li H.
europepmc   +1 more source