Towards Defect Phase Diagrams: From Research Data Management to Automated Workflows
Advanced Engineering Materials, EarlyView.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
Simultaneous Numerical Determination of Two Time-dependent Coefficients in Second Order Parabolic Equation With Nonlocal Initial and Boundary Conditions. [PDF]
F1000ResA J Al-Shatrah M, Sabah Hussein M.
europepmc +1 more source
Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization
Advanced Engineering Materials, EarlyView.Magnetocaloric cooling (MCE) is an environmentally friendly refrigeration method with great potential. Optimizing MCE materials involves the preparation and screening of large quantities of samples, which in turn generates a large amount of data. A digitalization approach is presented that uses ontologies, knowledge graphs, and digital workflows to ...
Simon Bekemeier +17 more
wiley +1 more source
A stability-enhanced preconditioned Haar wavelet scheme for the solution of Poisson and Helmholtz equations. [PDF]
Sci RepK A, Karkera H.
europepmc +1 more source
Advanced Engineering Materials, EarlyView.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
Analyzing the influence of fractional orders of FitzHugh-Nagumo and Fisher equations. [PDF]
Sci RepAl-Sawalha MM +3 more
europepmc +1 more source
The PRIMA Thesaurus for Materials Science and Engineering
Advanced Engineering Materials, EarlyView.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
Analysis and simulation of a stochastic reaction-diffusion model for HBV infection under antiviral treatment. [PDF]
BMC Infect DisTchioffo BR, Mvogo A, Ele Abiama P.
europepmc +1 more source
A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science
Advanced Engineering Materials, EarlyView.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
Semi-analytical investigation of nonlinear time-fractional fluid behavior with ϕ-Caputo memory. [PDF]
Sci RepAl-Sawalha MM +3 more
europepmc +1 more source