Results 111 to 120 of about 25,957 (263)

Time-Resolved Resonant Inelastic X-ray Scattering Reveals How Orbital Symmetry Alignment Enables C-H Activation. [PDF]

J Am Chem Soc
Dederichs T, Banerjee A, Kabanova V, Stefanuik R, Freibert A, Beale EV, Dworkowski F, Castillo RG, Johnson PJM, Cirelli C, Huse N, Bacellar C, Jay RM, Wernet P.   +13 more
europepmc   +1 more source

Inverse Identification of Energy‐Dependent Laser Absorptivity in NiTi Laser Powder‐Bed Fusion via Calibrated Melt Pool Simulation

Advanced Engineering Materials, EarlyView.
A combined experimental–computational framework identifies energy‐dependent laser absorptivity for NiTi in laser powder‐bed fusion, applicable to conduction and transition modes. Single‐track experiments and thermofluid smoothed particle hydrodynamics simulations are coupled through inverse analysis of melt pool geometry.
Mohamadreza Afrasiabi, Hadi Moutablaleh, Ignatius A. Setiawan, Mehrshad Mehrpouya   +3 more
wiley   +1 more source

Assessment of DFT functionals for chiroptical properties of Fe(acac) 3 adduct: a study of M(acac) 3 (M = Fe and Co) stereoisomers. [PDF]

J Mol Model
Morgon NH.
europepmc   +1 more source

Comparison of Triply Periodic Minimal Surface Energy Absorbers Under Uniaxial Compressive Loading

Advanced Engineering Materials, EarlyView.
This study investigates LCD 3D printed Triply Periodic Minimal Surface (TPMS) structures as mechanical energy absorbers. By comparing various base designs and layered combinations under uniaxial compression, it identifies that a Diamond‐Gyroid sandwich structure offers superior performance.
Sergej Grednev, Noah‐Lean Roschlaub, Anne Jung   +2 more
wiley   +1 more source

From mononuclear to pyrazine-bridged dinuclear samarium(iii) complexes: role of fluxidentate coordination in luminescent and thermal behavior. [PDF]

RSC Adv
Aggarwal V, Singh D, Dalal S, Bhagwan S, Kumar S, Malik RS, Kumar P, Sindhu J.   +7 more
europepmc   +1 more source

Triple Junctions as Dislocation‐Like Defects: The Role of Grain Boundary Crystallography Revealed by Experiment and Atomistic Simulation

Advanced Engineering Materials, EarlyView.
Grain boundary triple junctions are an essential ingredient of the microstructure of polycrystalline materials. In this study, a triple junction is observed using atomic‐resolution scanning transmission electron microscopy and characterized. Computer simulations reveal that the junction has a dislocation character that is determined by the joining ...
Tobias Brink, Saba Saood, Peter Schweizer, Jörg Neugebauer, Gerhard Dehm   +4 more
wiley   +1 more source

Experimental and DFT Investigation of a Vitamin B₆-Derived Fluorescent Probe for Detection of Al³⁺ and Ga³⁺ Ions in a Buffered Aqueous DMSO Solution. [PDF]

Sensors (Basel)
Zavalishin MN, Guschin AA, Gamov GA.
europepmc   +1 more source

Microstructure, Thermal Transport, and Dry‐Sliding Tribology of Powder‐Metallurgy Al7075 Composites Reinforced With Sol–Gel‐Derived ZnO–rGO Hybrid Nanoparticles

Advanced Engineering Materials, EarlyView.
Sol–gel‐derived ZnO–rGO hybrid nanoparticles enable Al7075 powder‐metallurgy composites to achieve concurrent gains in hardness and thermal conductivity while markedly lowering friction and wear. The hybrid architecture couples ZnO‐based load support with rGO‐assisted lamellar sliding and heat spreading, revealing a promising route toward lightweight ...
Bunyamin Aksakal, Cevher Kursat Macit, Merve Ayık, Hakan Tutumlu   +3 more
wiley   +1 more source

Structure and Spectroscopy of Free Base, Copper, and Zinc Tetrapentylporphyrin. [PDF]

J Phys Chem A
Muldowney BE, Ajayi ND, Chen WY, Geier GR, Ziegler CJ, Nemykin VN.   +5 more
europepmc   +1 more source

A Practical Noise2Noise Denoising Pipeline for High‐Throughput Raman Spectroscopy

Advanced Engineering Materials, EarlyView.
A lightweight and reproducible denoising pipeline for high‐throughput Raman spectroscopy is introduced, based on a 1D convolutional autoencoder trained with a Noise2Noise strategy. Using only repeated short‐exposure acquisitions, the method suppresses stochastic noise without reference spectra, enabling reliable spectral reconstruction while preserving
David Martin‐Calle, Cesar Alvarez‐Llamas, Vincent Motto‐Ros, Christophe Dujardin, Jérémie Margueritat, David Rodney   +5 more
wiley   +1 more source