Results 71 to 80 of about 19,326,268 (252)

Fluorination: A strategy to tune the interactions of molecules and nanoscale systems with biological matter

FEBS Open Bio, EarlyView.
This minireview explores fluorination as a key strategy to optimize therapeutic molecules and nanocarriers. By incorporating different fluorinated motifs—from single atoms to linear and branched chains—drug delivery, cellular uptake, and colloidal stability can be improved and fine‐tuned.
Martina Beccalli, Beatrice Lucia Bona, Francesca Baldelli Bombelli   +2 more
wiley   +1 more source

Unorthodox Dimensional Interpolations for He, Li, Be Atoms and Hydrogen Molecule

Frontiers in Physics, 2020
We present a simple interpolation formula using dimensional limits D = 1 and D = ∞ to obtain the D = 3 ground-state energies of atoms and molecules. For atoms, these limits are linked by first-order perturbation terms of electron-electron interactions ...
Kumar J. B. Ghosh, Sabre Kais, Dudley R. Herschbach   +2 more
doaj   +1 more source

Affecting the Properties of Copper–Graphene Electroconductive Composite by Severe Plastic Deformation

Advanced Engineering Materials, EarlyView.
Copper‐based composites enhanced with carbon feature convenient mechanical properties and favorable electric conductivity. Processing via deformation and thermomechanical treatments can introduce advantageous microstructures further enhancing their performance. Herein, copper–graphene powder‐based composites are directly consolidated via rotary swaging
Radim Kocich, Lenka Kunčická, Pavel Czernek, Zifan Wang   +3 more
wiley   +1 more source

First Principles Methods: A Perspective from Quantum Monte Carlo

Entropy, 2013
Quantum Monte Carlo methods are among the most accurate algorithms for predicting properties of general quantum systems. We briefly introduce ground state, path integral at finite temperature and coupled electron-ion Monte Carlo methods, their merits and
Miguel A. Morales, Raymond Clay, Carlo Pierleoni, David M. Ceperley   +3 more
doaj   +1 more source

Electrochemical Behavior of Flame‐Sprayed Sc‐Doped AlCoCrFeMo High‐Entropy Alloy Coatings in 3.5% Sodium Chloride Solution

Advanced Engineering Materials, EarlyView.
Scandium (Sc)‐doped AlCoCrFeMo HEA coatings are fabricated via flame spraying with 0.1, 0.3, and 0.5 wt% Sc additions. Among these, the HEA‐Sc0.3 coating exhibits the highest corrosion resistance, indicated by a more positive corrosion potential and lower current density.
Pankaj Kumar, Akash Vyas, Mohammad Aatif Qazi, Nashit Jalal, Maria Ophelia Jarligo, Mostafa Yakout, Jing Liu, André McDonald   +7 more
wiley   +1 more source

Machine Learning‐Supported Analysis for Predicting and Visualizing Nonlinear Relationships Between Material Properties in Electroplated Chromium Layers

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, Christopher Mai, Luca Eisentraut, Andreas Bund, Ricardo Buettner   +4 more
wiley   +1 more source

Hydrogen mobility roll-up site selection using intuitionistic fuzzy sets based WASPAS, COPRAS and EDAS

, 2019
In this study, an intuitionistic fuzzy set based multi-criteria decision making (MCDM) method, including WASPAS, COPRAS and EDAS is proposed for selecting the best location for hydrogen mobility roll-up site selection in Romania.
Akyurt, Ibrahim Zeki, Iordache, Mihaela, Deveci, Muhammet, Bilgili, Kursad, Iordache, Ioan, Schitea, Dorin   +5 more
core   +1 more source

High‐Resolution Corrosion Fingerprinting of Alloy Libraries via Microdroplet Spectroelectrochemistry

Advanced Engineering Materials, EarlyView.
Ionic‐liquid microdroplet spectroelectrochemistry enables stable, localized electrochemical measurements over extended timescales. By coupling impedance spectroscopy, wetting analysis, finite‐element simulations, and operando Raman spectroscopy, it disentangles geometrical and electrochemical effects, opening new opportunities for rapid corrosion ...
Ekaterina Kurchavova, Oumaïma Gharbi, Mireille Turmine, Vincent Vivier   +3 more
wiley   +1 more source

Microstructure Modification of Additively Manufactured Mo–9Si–8B by Annealing and Its Effects on High‐Temperature Mechanical Properties

Advanced Engineering Materials, EarlyView.
Postbuild annealing systematically modifies the phase fractions and morphology of EB‐PBF processed Mo–9Si–8B. Quantitative microstructure–property correlations reveal how controlled phase evolution enhances high‐temperature compressive strength and creep resistance.
Christopher Schmidt, Yong Chen, Georg Hasemann, Benjamin Wahlmann, Carolin Körner, Manja Krüger   +5 more
wiley   +1 more source

Self-Regular Black Holes Quantized by means of an Analogue to Hydrogen Atoms

Advances in High Energy Physics, 2016
We suggest a quantum black hole model that is based on an analogue to hydrogen atoms. A self-regular Schwarzschild-AdS black hole is investigated, where the mass density of the extreme black hole is given by the probability density of the ground state of
Chang Liu, Yan-Gang Miao, Yu-Mei Wu, Yu-Hao Zhang   +3 more
doaj   +1 more source