Results 121 to 130 of about 35,918 (305)

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

Microgel‐Based 3D Bioprinting: A Convergent Strategy Integrating Material Design, Jamming Dynamics, and Biological Function

Advanced Healthcare Materials, EarlyView.
Microgel‐based 3D printed constructs represent a compelling and versatile innovation for engineering architecturally complex, dynamically remodelable, and biocompatible structures with high structural fidelity and bioactivity. By integrating material design, biofabrication, and biological function, these systems enable the development of adaptive ...
Elena Ghighină, Andreea Ioana Dinu, Jana Ghițman   +2 more
wiley   +1 more source

Variational formulation of the first principle of continuum thermodynamics

, 2010
The First Principle of Continuum Thermodynamics is formulated as a variational condition whose test fields are piecewise constant virtual temperatures. Lagrange multipliers theorem is applied to relax the constraint of piecewise constancy of test fields.
DIACO, MARINA, BARRETTA, RAFFAELE, ROMANO, GIOVANNI   +2 more
core   +1 more source

Atomic Layer Deposition Processes: Versatile Platforms for Engineering ZnO‐Chitosan Biointerfaces

Advanced Healthcare Materials, EarlyView.
Vapour phase metalation (VPM), multiplied pulsed vapour phase infiltration (MPI), and O2 plasma‑enhanced atomic layer deposition (PEALD) tailor Zn–chitosan (Zn‑CS) films. PEALD improves wettability and biocompatibility. MPI enhances semiconductor behavior. Antiseptic selectivity: VPM → E. coli; MPI → H. pylori.
Mabel Moreno, Anjana Devi, David Zanders, Miryam Arredondo, Davide Mariotti, Ruairi McGlynn, Sindy Devis, Simón Guerrero, Eglantina Benavente, Matias Alegría, Yusser Olguin, Lorena Lobos‐Gonzalez, Kevin Guzmán, Elizabeth Rivas‐Yañez, Paula Solar, Valentin Cepus, Michael Krause, Luis Velásquez   +17 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

Computational thermodynamics in ferrite content prediction of austenitic stainless steel weldments

, 2019
In this paper, four computational approaches using Thermo-Calc and DICTRA have been used to calculate the ferrite content of a set of austenitic stainless steel welds with different solidification modes and ferrite contents. To evaluate the computational
Wessman, Sten, Valiente Bermejo, María Asunción   +1 more
core   +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

Efficiency optimization in quantum computing: balancing thermodynamics and computational performance

Scientific Reports
We investigate the computational efficiency and thermodynamic cost of the D-Wave quantum annealer under reverse-annealing with and without pausing. Our demonstration on the D-Wave 2000Q annealer shows that the combination of reverse-annealing and pausing
Tomasz Śmierzchalski, Zakaria Mzaouali, Sebastian Deffner, Bartłomiej Gardas   +3 more
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