Advanced Engineering Materials, EarlyView.Digitalizing electroplating requires both domain knowledge and interoperability. This work introduces PlatOn, a domain ontology for trivalent chromium plating and coating characterization, and a hybrid pipeline that aligns it to a mid‐level reference ontology by combining eight similarity metrics with language model reasoning. Expert‐validated mappings
Janik Harter +10 more
wiley +1 more source
Accelerated Free Energy Estimation in <i>Ab Initio</i> Path Integral Monte Carlo Simulations. [PDF]
J Phys Chem LettSvensson P +6 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
Including Quantum Effects in Molecular Simulations Using the Feynman-Kleinert Linearized Path Integral Method. [PDF]
Entropy (Basel)Poulsen JA, Nyman G.
europepmc +1 more source
Robotic Manipulation Planning for Automatic Peeling of Glass Substrate Based on Online Learning Model Predictive Path Integral. [PDF]
Sensors (Basel), 2022 Hou L, Wang H, Zou H, Zhou Y.
europepmc +1 more source
Advanced Engineering Materials, EarlyView.The community‐driven Platform MaterialDigital Core Ontology (PMDco) 3.0 is introduced as a Basic Formal Ontology‐aligned semantic backbone for the processing–structure–properties paradigm in Materials Science and Engineering. Modular engineering, automated releases, and validation workflows are highlighted and key semantic patterns for materials ...
Markus Schilling +15 more
wiley +1 more source
Path Integral-Free Energy Perturbation (PI-FEP) Simulations: Kinetic Isotope Effects of Proton/Deuteron Transfer Reactions in Aqueous Solution. [PDF]
Wiley Interdiscip Rev Comput Mol SciGao J +10 more
europepmc +1 more source
Centroid Molecular Dynamics Can Be Greatly Accelerated through Neural Network Learned Centroid Forces Derived from Path Integral Molecular Dynamics. [PDF]
J Chem Theory Comput, 2022 Loose TD, Sahrmann PG, Voth GA.
europepmc +1 more source
Advanced Engineering Materials, EarlyView.Different Al/Al bimetals with a single engineered interface reveal how mechanical mismatch governs fatigue crack growth under cyclic loading. Additionally, loading–unloading–reloading tests link the microyielding behavior to the fatigue crack growth resistance, while crack‐path analysis reveals toughening mechanisms at the interface, highlighting ...
Sebastian Vollath +2 more
wiley +1 more source
Application of Deconvolution in Path Integral Simulations. [PDF]
J Chem Theory ComputMadarász Á, Laczkó G.
europepmc +1 more source