Results 171 to 180 of about 43,945 (232)

Symbolic Regression and Multi‐Objective Optimization of the Flory–Huggins Interaction Parameter for Hydrogels

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, Adrian Ehrenhofer, Thomas Wallmersperger   +2 more
wiley   +1 more source

PINN for stiff moving-boundary PDE to predict the locking point in superheated steam drying. [PDF]

Sci Rep
Malekjani N, Bück A, Tsotsas E, Kharaghani A.   +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, Alexey Boubnov, Dario De Angelis, Catriona Eschke, Maximilian Kabbe, Felix Kraus, Mirco Panighel, Richard Thelen, Davide Valentinis   +8 more
wiley   +1 more source

SAMTI: Sampling Adaptive Thermodynamic Integration for Alchemical Free Energy Calculations. [PDF]

J Phys Chem B
Lee TS, Jahanmahin O, Pal S, York DM.
europepmc   +1 more source

Hydrogen‐Assisted Fracture of Iron‐Based Fe–Ni–Al Alloys

Advanced Engineering Materials, EarlyView.
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, Olha Zvirko, Rostyslav Leshchak, Hryhoriy Nykyforchyn   +3 more
wiley   +1 more source

Developing and Benchmarking Sage 2.3.0 with the AshGC Neural Network Charge Model. [PDF]

J Chem Theory Comput
Wang L, Alibay I, Behara PK, Boothroyd S, Cavender CE, Horton JT, McIsaac AR, Mitchell A, Morales B, Thompson MW, Wagner JR, Westbrook BR, Bayly CI, Chodera JD, Cole DJ, Eastwood JRB, Shirts MR, Mobley DL.   +17 more
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, Sarath Menon, Raphael Röske, Johannes Steinhülb, Michael Selzer, Jan Janssen, Tilmann Hickel, Ruth Schwaiger, Jörg Neugebauer   +8 more
wiley   +1 more source

Real-Time Object Classification via Dual-Pixel Measurement. [PDF]

Sensors (Basel)
Yang J, Chen R, Peng Y, Zhang L, Sun T, Xing F.   +5 more
europepmc   +1 more source

PASTA‐ELN: Simplifying Research Data Management for Experimental Materials Science

Advanced Engineering Materials, EarlyView.
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

Optimized ANN-based bio-thermodynamic modeling of unsteady flows with coupled nanoparticle-microbial-activation-energy transport in heterogeneous porous media. [PDF]

Sci Rep
Almutlg A, Ahmed SE, Arafa AAM, Hussein SA.   +3 more
europepmc   +1 more source