Results 61 to 70 of about 11,576,305 (269)

Microstructure‑Dependent Phase Transformations Under High‑Pressure Laser Heating in Additively Manufactured AlCrFe2Ni2

Advanced Engineering Materials, EarlyView.
Additively manufactured AlCrFe2Ni2 with contrasting BCC/B2‐dominant and lamellar FCC + BCC/B2 microstructures exhibits the same pressure‐induced BCC/B2 → HCP transformation. Under laser heating at high pressure, HCP is destabilized, and a cubic BCC/B2 + FCC assemblage is recovered, while the lower‐scan‐speed microstructure transforms at a lower ...
Raimundas Sereika, Hunter Kantelis, Yogesh K. Vohra, Shengbiao Zhang, Wuxian Yang, Wen Chen   +5 more
wiley   +1 more source

Impact of Hydrogen Incorporation on Electronic and Magnetic Structure of X2CrNi18‐9 Stainless Steel

Advanced Engineering Materials, EarlyView.
Hydrogen uptake in austenitic stainless steel alters both its electronic and magnetic structure. Seebeck measurements reveal hydrogen‐induced shifts in the electronic density of states, while neutron scattering uncovers nanoscale inhomogeneities that grow upon hydrogen incorporation, with the most pronounced effect observed in the PBF as‐built state ...
Torben Tappe, Louis Becker, Gaurav Kanu, Thomas F. Headen, Dirk Honecker, Gabi Schierning, Santiago Benito, Sebastian Weber, Klara Lünser, Sabrina Disch   +9 more
wiley   +1 more source

Teaching design of " Chemical Reaction Rate" in Senior High School Based on Computer Exploratory Modeling

, 2022
Modeling and modeling are important components of the chemistry core literacy. Computer-aided modeling is visual, can create an inquiry learning environment, and plays an important role in teachers guiding students to build models and learn concepts ...
Xue, Song, Yang, Ting-Ting, Zhao, Lei-Hong   +2 more
core   +1 more source

DNA‐Templated 2D Heterostructures as Phototriggered Dynamic Nanohybrids: From Releasing Molecular Loads to Controlling Enzyme Biocatalytic Function

Advanced Functional Materials, EarlyView.
DNA strands are employed both as dynamic linkers and nanoscale templates for the integration of Ag2S nanoparticles on MoS2, which in turn imparted photothermal responsiveness; this feature permits the selective cargo (fluorophore, quantum dots or an enzyme) release from the MoS2 surface in response to local heat induced by light irradiation.
Kai Chen, Haosen Miao, Weiying Hong, Matteo Palma   +3 more
wiley   +1 more source

From molecules to data: the emerging impact of chemoinformatics in chemistry

Journal of Cheminformatics
Chemoinformatics is a rapidly advancing field that integrates chemistry, computer science, and data analysis to enhance the study and application of chemical systems.
Anup Basnet Chetry, Keisuke Ohto
doaj   +1 more source

Intermediate Resistive State in Wafer‐Scale Vertical MoS2 Memristors Through Lateral Silver Filament Growth for Artificial Synapse Applications

Advanced Functional Materials, EarlyView.
In MOCVD MoS2 memristors, a current compliance‐regulated Ag filament mechanism is revealed. The filament ruptures spontaneously during volatile switching, while subsequent growth proceeds vertically through the MoS2 layers and then laterally along the van der Waals gaps during nonvolatile switching.
Yuan Fa, Milan Buttberg, Ke Ran, Rana Walied Ahmad, Dennis Braun, Lukas Völkel, Jimin Lee, Sofía Cruces, Bart Macco, Bárbara Canto, Holger Lerch, Thorsten Wahlbrink, Holger Kalisch, Michael Heuken, Andrei Vescan, Joachim Mayer, Zhenxing Wang, Ilia Valov, Stephan Menzel, Max C. Lemme   +19 more
wiley   +1 more source

Thermal transport in Ag 8 T S 6 ( T = Si, Ge, Sn) argyrodites: an integrated experimental, quantum-chemical, and computational modelling study

Journal of Materials Chemistry A
Published by RSC, London ˜[u.a.]œ
Bustamante, Joana, Ghata, Anupama, Naik, Aakash A., Ertural, Christina, Ueltzen, Katharina, Zeier, Wolfgang G., George, Janine   +6 more
openaire   +4 more sources

Towards quantum chemistry on a quantum computer [PDF]

, 2010
Exact first-principles calculations of molecular properties are currently intractable because their computational cost grows exponentially with both the number of atoms and basis set size. A solution is to move to a radically different model of computing
WHITE AG, MOHSENI M, GOGGIN ME, White, A. G., M. Barbieri, Mohseni, M., Powell, B. J., ASPURU GUZIK A, Biamonte, J. D., B. J. Powell, A. G. White, WHITFIELD JD, GILLETT GG, Goggin, M. E., Kassal, Ivan, I. Kassal, Almeida, M. P., Aspuru-Guzik, A., J. D. Biamonte, Whitfield, J. D., LANYON BP, BIAMONTE JD, Gillett, G. G., POWELL BJ, G. G. Gillett, A. Aspuru-Guzik, M. P. Almeida, White, Andrew G., B. P. Lanyon, Barbieri, M., Kassal, I., Whitfield, James D., J. D. Whitfield, ALMEIDA MP, KASSAL I, M. Mohseni, Lanyon, B. P., M. E. Goggin, Aspuru-Guzik, Alan, Mohseni, Masoud, BARBIERI, MARCO   +40 more
core   +1 more source

Optoelectronic Synaptic Devices Using Molecular Telluride Phase‐Change Inks for Three‐Factor Learning

Advanced Functional Materials, EarlyView.
Optoelectronic synaptic devices based on solution‐processed molecular telluride GST‐225 phase‐change inks are demonstrated for three‐factor learning. A global optical signal broadcast through a silicon waveguide induces non‐volatile conductance updates exclusively in locally electrically flagged memristors.
Kevin Portner, Dhananjeya Kumaar, Giacomo Torti, Killian Keller, Till Zellweger, Florian M. Schenk, Christoph Weilenmann, Daniel Chelladurai, Vara Prasad Jonnalagadda, Ghazi Sarwat Syed, Vanessa Wood, Jürg Leuthold, Alexandros Emboras, Maksym Yarema, Mathieu Luisier   +14 more
wiley   +1 more source

A Review on Vehicle Tire Elastomers and Tire Wear Particles: Composition, Degradation Mechanisms, Analytical Methods, and Predictive Multiscale Computational Modeling

Advances in Polymer Technology
The study of the properties, chemical composition, and degradation patterns of rubber materials used in vehicle tires remains a complex and interdisciplinary task.
Roman Tangalychev, Vasilii Korotenko, Valentin Ivanov   +2 more
doaj   +1 more source