Results 181 to 190 of about 435,857 (264)

Clustering effects on the reactivity of alkoxy radicals: rate coefficients of ³(RO⋯OR) complexes accounting for multiple conformers.

Phys Chem Chem Phys
Zhao HF, Franzon L, Juttula S, Skog R, Myllys N, Kurtén T.   +5 more
europepmc   +1 more source

Energy-Based Phase-Locking State Analysis in Brain State Identification. [PDF]

Hum Brain Mapp
Ye C, Deng Z, Cong S, Ran C, Gong T, Huang S, Ma T.   +6 more
europepmc   +1 more source

Understanding the Stochastic Nature of Process Parameter Development of Blown Powder Laser Beam Directed Energy Deposition Additive Manufacturing of Pure Molybdenum

Advanced Engineering Materials, EarlyView.
Identified through the use of statistical design of experiments and metallographic investigation, this study exposes the stochastic origins of intergranular cracks in blown powder laser beam directed energy deposition additive manufacturing of pure molybdenum. It further demonstrates a successful crack mitigation approach with direct correlation to the
Nathaniel J. Lies, Daniel E. Driemeyer, Aaron P. Stebner   +2 more
wiley   +1 more source

A practical guide to RRKM theory, its simplified multi-well version AWATAR and master equation modelling of radiative processes.

Phys Chem Chem Phys
Salzburger M, Reimann M, Hartmann JC, Ončák M, Beyer MK.   +4 more
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, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano, Basil Ell, Inga Ennen, Michael Feige, Maik Gaerner, Thomas Hilbig, Andreas Hütten, Günter Reiss, Tapas Samanta, Sonja Schöning, Christian Schröder, Lennart Schwan, Chris Taake, Martin Wortmann   +17 more
wiley   +1 more source

Dilute magnetism and edge-state engineering in monolayer SnO. [PDF]

Nanoscale Adv
Fukuta Y, Adhikary S, Tsukagoshi K, Wakabayashi K.   +3 more
europepmc   +1 more source

Multimodal Data‐Driven Microstructure Characterization

Advanced Engineering Materials, EarlyView.
A self‐consistent autonomous workflow for EBSP‐based microstructure segmentation by integrating PCA, GMM clustering, and cNMF with information‐theoretic parameter selection, requiring no user input. An optimal ROI size related to characteristic grain size is identified.
Qi Zhang, Santiago Benito, Özge Özgün, Sebastian Weber, Markus Stricker   +4 more
wiley   +1 more source

Electric Field Effects on the Optoelectronic Properties of Fluorinated Heptyl-Bicyclohexyl-Biphenyl: A TD-DFT Investigation. [PDF]

ACS Omega
Trabelsi J, Esboui M.
europepmc   +1 more source

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

Free-Energy Landscapes of HBV Hexamer Closure Reveal Key Structural Features of the Transition. [PDF]

J Chem Theory Comput
Fan Z, Pavlova A, Lynch DL, Chipot C, Gumbart JC.   +4 more
europepmc   +1 more source