Results 241 to 250 of about 951 (297)
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
The work of Pierre Magal on differential equations, functional analysis and mathematical biology. [PDF]
Demongeot J, Hillen T, Ruan S, Webb G.
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
Hydrogen‐Assisted Fracture of Iron‐Based Fe–Ni–Al Alloys
Principal relations and fracture mechanisms of single‐phase and precipitate‐strengthened Fe–Ni–Al alloys subjected to prior electrochemical hydrogen charging are identified. The mechanisms of hydrogen effect on strength and microhardness are discussed, including hydrogen‐induced increase in microhardness and the role of hydrogen in fracture behavior ...
Nataliya Yadzhak +3 more
wiley +1 more source
Reduced Density Matrix and Cumulant Approximations of Quantum Linear Response. [PDF]
von Buchwald TJ +5 more
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
Magnons from time-dependent density-functional perturbation theory and nonempirical Hubbard functionals. [PDF]
Binci L, Marzari N, Timrov I.
europepmc +1 more source
Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari +5 more
wiley +1 more source
Dynamics and asymptotic profiles of a local-nonlocal dispersal SIR epidemic model with spatial heterogeneity. [PDF]
Djilali S, Sarmad G, Tridane A.
europepmc +1 more source

