Results 181 to 190 of about 1,899,138 (288)

Correction: The influence of model building schemes and molecular dynamics sampling on QM-cluster models: the chorismate mutase case study.

Phys Chem Chem Phys
Agbaglo DA, Summers TJ, Cheng Q, DeYonker NJ.   +3 more
europepmc   +1 more source

Constrained shadow tomography for molecular simulation on quantum devices. [PDF]

Chem Sci
Avdic I, Wang Y, Rose M, Payne Torres LI, Schouten AO, Sung KJ, Mazziotti DA.   +6 more
europepmc   +1 more source

Additive Manufacturing of Continuous Fibre Reinforced Composites: Process, Characterisation, Modelling, and Sustainability

Advanced Engineering Materials, EarlyView.
Additive manufacturing provides precise control over the placement of continuous fibres within polymer matrices, enabling customised mechanical performance in composite components. This article explores processing strategies, mechanical testing, and modelling approaches for additive manufactured continuous fibre‐reinforced composites.
Cherian Thomas, Amir Hosein Sakhaei
wiley   +1 more source

The role of Au-Cl adlayers in the Turkevich synthesis of gold nanoparticles.

Chem Commun (Camb)
Sibug-Torres SM, Wallace GQ, Jones T, Graham D, Baumberg JJ.   +4 more
europepmc   +1 more source

Investigation of Hyperfine Interactions in Molecular Spin Qubits Constructed from A Nitronyl-Nitroxide Ligand and Transition Metal Ions. [PDF]

Inorg Chem
Martins DOTA, Spinu CA, Sheveleva A, Hillebrand M, Tuna F, Andruh M.   +5 more
europepmc   +1 more source

Numerical Exploration of Thermal Shock Resistance in MgO–C Refractories

Advanced Engineering Materials, EarlyView.
A mesostructure‐resolved numerical framework is developed to evaluate the thermal shock resistance of MgO–C refractories. By modeling interface debonding under rapid temperature changes and introducing a modified thermal shock parameter that accounts for mesocracks, the study shows how graphite content and aggregate size influence thermal shock ...
Jishnu Vinayak Gopi, Stephan Roth, Christos G. Aneziris, Bjoern Kiefer   +3 more
wiley   +1 more source

Exploring the association between serum vitamins and CAP-defined hepatic steatosis in lean and non-lean adults with NAFLD: A cross-sectional study. [PDF]

PLoS One
Hong C, Jiang L, Xia L.
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

Expanding the Reactivity of Masked Divalent Lanthanide-Isocarbonyl Complexes. [PDF]

Organometallics
Temple SR, Mondal A, Giblin SR, Tang J, Layfield RA.   +4 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