Results 61 to 70 of about 11,389,564 (282)

Towards Defect Phase Diagrams: From Research Data Management to Automated Workflows

open access: yesAdvanced Engineering Materials, EarlyView.
A research data management infrastructure is presented for the systematic integration of heterogeneous experimental and simulation data required for defect phase diagrams. The approach combines openBIS with a companion application for large‐object storage, automated metadata extraction, provenance tracking and federated data access, thereby supporting ...
Khalil Rejiba   +5 more
wiley   +1 more source

Single crystal x-ray diffraction studies on small, medium and large molecules [PDF]

open access: yes, 1996
Chapter 1. Production of crystals for diffraction analysis would be assisted by the devising of a set of rules which, given molecular formula, could predict crystal formation conditions.
Butterworth, Susanna
core  

Effect of Metal Dopant on Ninhydrin—Organic Nonlinear Optical Single Crystals

open access: yesJournal of Spectroscopy, 2013
In the present work, metal (Cu2+)-substituted ninhydrin single crystals were grown by slow evaporation method. The grown crystals have been subjected to single crystal XRD, powder X-ray diffraction, FTIR, dielectric and SHG studies.
R. S. Sreenivasan   +4 more
doaj   +1 more source

Crystal structure of apatite type Ca2.49Nd7.51(SiO4)6O1.75

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2016
The title compound, Ca2+xNd8–x(SiO4)6O2–0.5x (x = 0.49), was synthesized at 1873 K and rapidly quenched to room temperature. Its structure has been determined using single-crystal X-ray diffraction and compared with results reported using neutron and X ...
Thu Hoai Le   +5 more
doaj   +1 more source

Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization

open access: yesAdvanced 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   +17 more
wiley   +1 more source

The polymorphs and solvates of phenylbutazone and their phase transition behaviour [PDF]

open access: yes, 2009
In this study, which was conducted between March 2007 and December 2008, the crystal structure of the alpha polymorph of phenylbutazone has been determined by single crystal X-ray diffractometry.
Targett, J.J.
core  

High‐Temperature Phase Transformation in a V‐9Si‐6.5B Alloy: The Kinetic and Crystallographic Pathway From V5SiB2 to V8SiB4

open access: yesAdvanced Engineering Materials, EarlyView.
In situ synchrotron high‐energy X‐ray diffraction reveals the real‐time high‐temperature phase evolution of a ternary V‐9Si‐6.5B alloy. The study uncovers a kinetically delayed V5SiB2 → V8SiB4 transformation governed by massive structural and chemical barriers.
Zahra Sabeti   +4 more
wiley   +1 more source

Growth and characterization by x-ray topography of highly perfect crystals [PDF]

open access: yes, 1989
Single nickel crystals were grown from the melt by the Czochralski technique. Domain wall movements under applied magnetic fields were observed by using the Lang technique for X-ray topography. Magnetization measurements at room temperature were recorded
Alourfi, Majed Saeed, Alourfi, M.S
core  

X-ray diffraction by phospholipid monolayers on single-crystal silicon substrates [PDF]

open access: yesProceedings of the National Academy of Sciences, 1983
Monolayers of dipalmitoyl phosphatidylcholine have been transferred from an air-water interface to single-crystal silicon wafers previously alkylated with octadecyltrichlorosilane. By using synchrotron radiation it has been found possible to observe diffraction by single-crystal regions of these monolayers with negligible background scattering from the
M, Seul, P, Eisenberger, H M, McConnell
openaire   +2 more sources

DigiChrom: A Domain Ontology for Semantic Representation of Trivalent Chromium Platings and Its Large Language Model‐Based Alignment With Multiple Mid‐Level Ontologies

open access: yesAdvanced Engineering Materials, EarlyView.
Digitalizing electroplating requires both domain knowledge and interoperability. This work introduces PlatOn, a domain ontology for trivalent chromium plating and coating characterization, and a hybrid pipeline that aligns it to a mid‐level reference ontology by combining eight similarity metrics with language model reasoning. Expert‐validated mappings
Janik Harter   +10 more
wiley   +1 more source

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