Multimodal Data‐Driven Microstructure Characterization
A self‐consistent autonomous workflow for EBSP‐based microstructure segmentation by integrating PCA, GMM clustering, and cNMF with information‐theoretic parameter selection, requiring no user input. An optimal ROI size related to characteristic grain size is identified.
Qi Zhang +4 more
wiley +1 more source
Exciton-Defect Interaction and Optical Properties from a First-Principles T-Matrix Approach. [PDF]
Chan YH +4 more
europepmc +1 more source
A two‐dimensional multiscale finite element analysis framework was established for the first‐generation MoSiBTiC alloy, and the mechanical and fracture‐related parameters of the constituent phases were calibrated through experiments and simulations. The framework provides a basis for analyzing crack propagation behavior in its complex microstructure ...
Junfeng Du +4 more
wiley +1 more source
Rational Design of Conjugated Phenylpropanoid-Polyene Hybrids: Density Functional Theory Insights into Antiradical and Optical Properties. [PDF]
Molski M.
europepmc +1 more source
The PRIMA Thesaurus for Materials Science and Engineering
The PRIMA Thesaurus is a structured vocabulary designed to improve how materials science data is described and shared. Developed with input from multiple experts, it enables clear documentation of research workflows, data exchange, and reuse across platforms.
Rossella Aversa +8 more
wiley +1 more source
Hexa-Graphyne: A Transparent and Semimetallic 2D Carbon Allotrope with Distinct Optical Properties. [PDF]
de Lima J, Hawthorne F, Woellner CF.
europepmc +1 more source
A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science
We unveil a prototype hybrid‐workflow framework that fuses automatedcomputation with hands‐on experiments. Built atop pyiron, a lightweight, parameterized layer translates procedure descriptions into executable manual steps, syncing instrument settings, human interventions, and data capture in real‐time today.
Steffen Brinckmann +8 more
wiley +1 more source
Hydrothermal Synthesis and Optical Properties of Cr-Doped Bi<sub>2</sub>Se<sub>3</sub> Topological Insulator Nanoplatelets. [PDF]
Belec B +4 more
europepmc +1 more source
PASTA‐ELN: Simplifying Research Data Management for Experimental Materials Science
Research data management faces ongoing hurdles as many ELNs remain complex and restrictive. PASTA‐ELN offers an open‐source, cross‐platform solution that prioritizes simplicity, offline access, and user control. Its in tuitive folder structure, modular Python add‐ons, and open formats enable seamless documentation, FAIR data practices, and easy ...
S. Brinckmann, G. Winkens, R. Schwaiger
wiley +1 more source
Microstructural and Thermo-Optical Properties of Cassava and Gellan Gum Films: A Photoacoustic Study. [PDF]
Ortega-Rubio ÁB +2 more
europepmc +1 more source

