Results 101 to 110 of about 30,083 (262)

Interaction‐Driven Assembly Pathways in Heterogeneous Active Microrobotic Systems

Advanced Functional Materials, EarlyView.
Peanut‐ and cube‐shaped light‐powered microrobots exhibit distinct magnetic and photocatalytic responses that determine their heterogeneous self‐assembly. In the dark, magnetic dipole interactions drive colloidal copolymerization with cubes acting as nucleation centers, whereas under light irradiation, phoretic interactions compete with magnetic ...
Domenico Calabrò, Roshan Velluvakandy, Martin Pumera, Francesco Priolo, Salvo Mirabella, Mario Urso   +5 more
wiley   +1 more source

The need for reliable data in computational thermodynamics. [PDF]

High Temp High Press, 2020
Kattner UR.
europepmc   +1 more source

Electrostatic Superlattices Beyond 1:1 Stoichiometry

Advanced Functional Materials, EarlyView.
Polymer‐mediated charge regulation drives two hierarchical routes to higher‐stoichiometry nanoparticle superlattices. Tuning the polymer's molecular weight promotes progressive interstitial filling, transforming ZnS into the fully occupied CaF2${\rm CaF}_2$ lattice. Exchanging polymer assignment between large and small nanoparticles instead breaks CsCl
Binay P. Nayak, Prapti Kakkar, Wesley P. Korba, Honghu Zhang, Wenjie Wang, Surya K. Mallapragada, Alex Travesset, David Vaknin   +7 more
wiley   +1 more source

Cellular Responses to Mechanical Cues Across Scales: From Fundamental Insights to Translational Potential

Advanced Healthcare Materials, EarlyView.
This review examines how cellular behavior is regulated by mechanical cues transmitted through soft biomaterials, from single‐cell mechanosensing to tissue‐level adaptation. It highlights why physiological relevance, rather than model complexity alone, is critical for translational mechanobiology and introduces a scoring framework linking material ...
Mathias Polz, Manuel P. Kainz, Niklas Haider, Theresa Rienmüller, Kerstin Lenk, Rupert Kargl, Michele Terzano, Gerhard Sommer, Gerhard A. Holzapfel, Julia Fuchs   +9 more
wiley   +1 more source

Machine Learning for Fluid Thermodynamics: State of the Art and Open Challenges

IEEE Access
This paper presents a critical survey on adopting machine learning in solving complex real fluid thermodynamics problems. After reviewing the primary computational machine learning frameworks employed in thermodynamic modelling, we have analysed current ...
Federico Succetti, Massimo Panella, Paolo Giannitrapani, Jean-Christophe Rigo, Stefania Colonnese   +4 more
doaj   +1 more source

Mixed‐Metal Promotion in a Manganese‐Molybdenum Oxynitride as Catalyst to Integrate C─C and C─N Coupling Reactions for the Direct Synthesis of Acetonitrile from Syngas and Ammonia

Advanced Materials, EarlyView.
Transition metal oxy/carbo‐nitrides show great promise as catalysts for sustainable processes. A Mn‐Mo mixed‐metal oxynitride attains remarkable performance for the direct synthesis of acetonitrile, an important commodity chemical, via sequential C─N and C─C coupling from syngas (C1) and ammonia (N1) feedstocks.
M. Elena Martínez‐Monje, Wilson Henao, Tania Rodenas, Patricia Concepción, Virginia Pérez Dieste, Alexander Missyul, Giovanni Agostini, Gonzalo Prieto   +7 more
wiley   +1 more source

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source

Deciphering the complexities of crystalline state(s) with molecular simulations

Communications Chemistry
Predicting the outcome of a crystallization process remains a long-standing challenge in solid state chemistry. This stems from the subtle interplay between thermodynamics and kinetics that results in a complex crystal energy landscape, spanned by many ...
Caroline Desgranges, Jerome Delhommelle
doaj   +1 more source

Resolving the Structural Duality of Graphene Grain Boundaries

Advanced Materials, EarlyView.
Cantilever ncAFM resolves the atomic structure of grain boundaries in graphene, revealing coexisting stable and metastable types. Both contain pentagon/heptagon defects, but metastable GBs show irregular geometries. Modeling shows metastable GBs form under compression, exhibiting vertical corrugation, while stable GBs are flat.
Haojie Guo, Emiliano Ventura‐Macías, Mariano D. Jiménez‐Sánchez, Nicoleta Nicoara, Pierre Mallet, Jean‐Yves Veuillen, Vincent T. Renard, Antonio J. Martínez‐Galera, Pablo Pou, Julio Gómez‐Herrero, Rubén Pérez, Iván Brihuega   +11 more
wiley   +1 more source

Crystal Growth Engineering for Dendrite‐Free Zinc Metal Plating

Advanced Materials, EarlyView.
This research employed the rare‐earth ion dysprosium (Dy) to modulate aqueous zinc (Zn) metal plating. Integrated multiscale experiments and computational modeling unveiled the preferential adsorption of Dy on specific crystal facets, which activated screw dislocation‐driven Zn growth.
Guifang Zeng, Sharona Horta, Qing Sun, Malik Dilshad Khan, Maria Ibáñez, Yuhang Han, Shang Wang, Longqiu Li, Lijie Ci, Yanhong Tian, Andreu Cabot   +10 more
wiley   +1 more source