Exact distributed kinetic Monte Carlo simulations for on-lattice chemical kinetics: lessons learnt from medium- and large-scale benchmarks. [PDF]
Philos Trans A Math Phys Eng Sci, 2023 Savva GD +3 more
europepmc +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
Advanced Engineering Materials, EarlyView.Experiments and thermophysical simulations were conducted to investigate the electron beam powder bed fusion electron beam (PBF‐EB/M) process for the γ′‐strengthened nickel‐based superalloy Inconel 738LC. The results demonstrate the impact of process‐induced microstructural variations on high‐temperature mechanical behavior, providing a basis for ...
Jan Niklas Petenati +11 more
wiley +1 more source
Chemical kinetics and promoted Co-immobilization for efficient catalytic carbonylation of ethylene oxide into methyl 3-hydroxypropionate. [PDF]
Front Chem, 2022 Luo J +5 more
europepmc +1 more source
Advanced Engineering Materials, EarlyView.In situ synchrotron high‐energy X‐ray diffraction reveals the real‐time high‐temperature phase evolution of a ternary V‐9Si‐6.5B alloy. The study uncovers a kinetically delayed V5SiB2 → V8SiB4 transformation governed by massive structural and chemical barriers.
Zahra Sabeti +4 more
wiley +1 more source
Kinetics and transport model for the chemical vapor epitaxy of GexSi1-x
, 1997 A numerical model that combines mass transport and surface kinetics was applied, for the first time, to the chemical vapor epitaxy of GexSi1-x. The temperature, velocity and concentration fields were calculated from the conservation equations for energy,
Jin XJ +2 more
core
Evaluating the efficiency of enzyme accelerated CO2 capture: chemical kinetics modelling for interpreting measurement results. [PDF]
J Enzyme Inhib Med Chem, 2021 Parri L +8 more
europepmc +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 +3 more
wiley +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
Delayed Mechanical Response to Chemical Kinetics in Self-Oscillating Hydrogels Driven by the Belousov-Zhabotinsky Reaction. [PDF]
Macromolecules, 2021 Geher-Herczegh T +5 more
europepmc +1 more source