Towards Defect Phase Diagrams: From Research Data Management to Automated Workflows
A research data management infrastructure is presented for the systematic integration of heterogeneous experimental and simulation data required for defect phase diagrams. The approach combines openBIS with a companion application for large‐object storage, automated metadata extraction, provenance tracking and federated data access, thereby supporting ...
Khalil Rejiba +5 more
wiley +1 more source
Lattice Genome Framework for Regionally Tailored Component-Level Multi-Objective Design in Additive Manufacturing. [PDF]
Deng H +8 more
europepmc +1 more source
Building machine‐readable vocabularies for materials science is slow, expert‐driven work. This study benchmarks 13 large language models on two of its first steps: finding candidate terms in engineering articles and deciding where they belong in a class hierarchy.
Thomas Bjarsch +3 more
wiley +1 more source
Optimization of proton-exchange membrane fuel cell via multi-objective CFD-based design. [PDF]
Alqsair UF.
europepmc +1 more source
We develop a data‐driven method to derive the mathematical expressions of the Flory–Huggins interaction parameter χ for the swelling behavior of temperature–responsive hydrogels. Starting from initial assumptions of χ, our workflow combines Bayesian optimization, Flory–Rehner theory, and symbolic regression to generate candidate χ expressions.
Yawen Wang +2 more
wiley +1 more source
Experiment-Driven Gaussian Process Surrogate Modeling and Bayesian Optimization for Multi-Objective Injection Molding. [PDF]
Omar HM, Mukras SMS.
europepmc +1 more source
Microstructure Evolution of a VMnFeCoNi High‐Entropy Alloy After Synthesis, Swaging, and Annealing
The synthesis and processing (rotary swaging and annealing) of the novel VMnFeCoNi alloy is investigated, alongside the estimation of the grain size effect on hardness. Analysis of a wide grain size range of recrystallized microstructures (12–210 µm) reveals a low annealing twin density.
Aditya Srinivasan Tirunilai +6 more
wiley +1 more source
Efficient EEG channel-and-frequency-band selection for epileptic seizure classification using multi-objective optimization. [PDF]
Chen W, Lei X, Guo H, Zhuang L.
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

