Knowledge‐based atomistic workflows are presented for mechanical and thermodynamic properties. By coupling modular simulations with ontology‐aligned metadata and provenance, Fe case studies on elastic behavior, defects, thermal properties, and Hall–Petch strengthening reveal how FAIR, queryable, and reusable simulation data can be generated. Mechanical
Abril Azócar Guzmán +5 more
wiley +1 more source
Exploration of interfacial chemistry and physical movement in fixed-bed adsorption/desorption of anthocyanins with and without in-process ultrasonication. [PDF]
Zhu R +8 more
europepmc +1 more source
Estimation method of the axial dispersion coefficient utilizing the Laplace transform.
IIDA, YOSHIHIRO, OSHIMA, SHIGERU
openaire +2 more sources
Cathodic Cage Plasma Deposition of Nanostructured Cu–Fe–Se Coatings on Poly(methyl Methacrylate)
Nanostructured Cu–Fe–Se coatings are deposited on PMMA by a modified cathodic cage plasma process, enabling low‐temperature deposition on polymer substrates. A transition from discontinuous to compact morphology is observed with temperature, with optimal properties at 200°C, where improved CuFeSe2‐type bonding, lowest sheet resistance, and favorable ...
V. S. S. Sobrinho +8 more
wiley +1 more source
Integrated structural, optical and dielectric analysis of low-loss α-Al₂O₃ nanoparticles for UV photonic and dielectric applications. [PDF]
Mohamed SA +7 more
europepmc +1 more source
An Experimental High‐Throughput Approach for the Screening of Hard Magnet Materials
An entire workflow for the high‐throughput characterization and analysis of compositionally graded magnetic films is presented. Characterization protocols, data management tools and data analysis approaches are illustrated with test case Sm(Fe, V)12 based films.
William Rigaut +16 more
wiley +1 more source
Coarse‐grained (left) and atomistic (right) models of the shape memory polymer ESTANE ETE 75DT3 are shown schematically. The two representations bridge molecular detail and mesoscopic description. Both models capture shape memory behavior, linking segmental mobility and conformational relaxation of anisotropic chains to macroscopic recovery, and ...
Fathollah Varnik
wiley +1 more source
Influence of scan mode, tilt, and radiation dose on CT radiomic metrics. [PDF]
Yadav N +5 more
europepmc +1 more source
This study shows that superalloys used in aircraft engine disks become much more prone to deformation at high temperatures if they have been strained during manufacturing. This effect increases with the level of prior strain but eventually reaches a limit.
Fabio Machado Alves da Fonseca +9 more
wiley +1 more source
Transverse Mode Instability in High-Power Yb-Doped Double-Clad Fiber Amplifiers: A Three-Layer Optical-Thermal Analysis Based on Stimulated Thermal Rayleigh Scattering. [PDF]
Cardoso ES, Samad RE, Motta CC.
europepmc +1 more source

