Results 131 to 140 of about 10,809,308 (293)
Modular Critical Element Recycling Platform Using a Nanoporous Additively Manufactured Gyroid
Advanced Engineering Materials, EarlyView.A modular recycling platform integrates 3D‐printed nanoporous gyroid structures to enable efficient critical element recovery. This system utilizes a hierarchical architecture, combining macroscopic channels with polymerization‐induced nanoscale porosity. By systematically tuning structural wall thickness and resin formulation, the platform achieves an
Xiangyu Gao +6 more
wiley +1 more source
Exchange-correlation effects for non-covalent interactions in density-functional theory
, 2016 This document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in the Journal of Chemical Theory and Computation, copyright © American Chemical Society after peer review.
Johnson, Erin +2 more
core +1 more source
Density Functional Theory Studies on the Chemical Reactivity of Allyl Mercaptan and Its Derivatives
MoleculesOn the basis of density functional theory (DFT) at the B3LYP/cc-pVQZ level with the C-PCM solvation model, a comparative analysis of the reactivity of the garlic metabolites 2-propenesulfenic acid (PSA) and allyl mercaptan (AM, 2-propene-1-thiol) was ...
Marcin Molski
doaj +1 more source
Advanced Engineering Materials, EarlyView.This study applies machine learning regression to predict chromium layer thickness in decorative trivalent chromium electroplating, using 441 experiments from laboratory‐scale (1L) and pilot‐scale (14L) setups. Tree‐based models, particularly CatBoost, outperformed linear regression by capturing nonlinear parameter interactions (R2$R^2$ up to 0.77 ...
Christoph Baumer +4 more
wiley +1 more source
, 2016 The extended Koopmans' theorem (EKT) provides a straightforward way to compute ionization potentials and electron affinities from any level of theory.
Yildiz, Dilan +3 more
core +1 more source
Impact of MgO Additions on the Oxidation Resistance and Compression Behavior of Vanadium Alloys
Advanced Engineering Materials, EarlyView.An increase in oxidation resistance at 600 °C is achieved for alloys containing more than 2.5 wt.% MgO. It has been established that, along with V2O5, MgO6V2, and Mg2O7V2 are formed, which are presumed to enhance oxidative stability. Furthermore, the possible transformation of Mg‐vanadates through reaction with CO2, which presumably occurs in this ...
Ievgen Solodkyi +5 more
wiley +1 more source
Reactivity-Controlled Preparation of Ultralarge Graphene Oxide by Chemical Expansion of Graphite
, 2017 The production of ultralarge graphene oxide (ULGO) is hindered by sluggish diffusion process of the oxidizing agents into graphite layers, as well as sheet fracture resulting from inhomogeneous oxidation.
Lei Dong (165252) +5 more
core +1 more source
Advanced Engineering Materials, EarlyView.Deep‐UV (258 nm) femtosecond pulses enable uniform amorphous silicon writing on Si(100)/(111) with a six‐fold larger fluence amorphization window than NIR methods. Optimized fluence and overlap yield 20–45 nm uniform and continuous amorphous layers. Microscopy shows sharp interfaces, and real‐time reflectivity reveals nanosecond melt–resolidification ...
Wissal Benali +5 more
wiley +1 more source
A THEORY OF CHEMICAL REACTION AND REACTIVITY. FURTHER NOTE.1
Journal of the American Chemical Society, 1916 n ...
openaire +1 more source
Architecture‐Driven Sensor Stability in Weft‐Knitted Engineering Textiles
Advanced Engineering Materials, EarlyView.Textile‐integrated sensor architectures are systematically compared to evaluate their electromechanical behavior under combined mechanical and environmental loading. Pocket‐based integration exhibits stable and reproducible signals, whereas tunnel‐based routing shows higher sensitivity accompanied by increased variability.
Adnan Maroof Khan +5 more
wiley +1 more source