Machine-Learning Assisted X-Ray Spectroscopy for High- Throughput Characterization of Magnetic Materials.

2018 ◽  
Author(s):  
T. Ueno ◽  
H. Hino ◽  
K. Ono
Keyword(s):  
Machine Learning ◽  
Magnetic Materials ◽  
High Throughput ◽  
X Ray

scholarly journals Database of ab initio L-edge X-ray absorption near edge structure

2021 ◽  
Vol 8 (1) ◽  
Author(s):  
Yiming Chen ◽  
Chi Chen ◽  
Chen Zheng ◽  
Shyam Dwaraknath ◽  
Matthew K. Horton ◽  
...  
Keyword(s):  
High Throughput ◽  
Scattering Theory ◽  
Research Community ◽  
Metal Compounds ◽  
Edge Structure ◽  
X Ray ◽  
Initial Release ◽  
Computational Workflow ◽  
X Ray Absorption

AbstractThe L-edge X-ray Absorption Near Edge Structure (XANES) is widely used in the characterization of transition metal compounds. Here, we report the development of a database of computed L-edge XANES using the multiple scattering theory-based FEFF9 code. The initial release of the database contains more than 140,000 L-edge spectra for more than 22,000 structures generated using a high-throughput computational workflow. The data is disseminated through the Materials Project and addresses a critical need for L-edge XANES spectra among the research community.

scholarly journals Characterization of metalloproteins by high-throughput X-ray absorption spectroscopy

2011 ◽  
Vol 21 (6) ◽  
pp. 898-907 ◽  
Author(s):  
W. Shi ◽  
M. Punta ◽  
J. Bohon ◽  
J. M. Sauder ◽  
R. D'Mello ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
High Throughput ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Characterization of lipid matrices for membrane protein crystallization by high-throughput small angle X-ray scattering

Methods ◽  
2011 ◽  
Vol 55 (4) ◽  
pp. 342-349 ◽  
Author(s):  
Jeremiah S. Joseph ◽  
Wei Liu ◽  
Joshua Kunken ◽  
Thomas M. Weiss ◽  
Hiro Tsuruta ◽  
...  
Keyword(s):  
Membrane Protein ◽  
High Throughput ◽  
Small Angle ◽  
Protein Crystallization ◽  
X Ray ◽  
X Ray Scattering ◽  
Membrane Protein Crystallization ◽  
Ray Scattering

High Throughput X-ray Diffractometer for Combinatorial Epitaxial Thin Films

2001 ◽  
Vol 700 ◽  
Author(s):  
M. Ohtani ◽  
T. Fukumura ◽  
A. Ohtomo ◽  
T. Kikuchi ◽  
K. Omote ◽  
...  
Keyword(s):  
Thin Films ◽  
High Throughput ◽  
Epitaxial Thin Films ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Heating Method ◽  
X Ray ◽  
Spatially Resolved ◽  
Diffraction Angle

AbstractWe report on the development of a high throughput x-ray diffractometer that concurrently measures spatially resolved x-ray diffraction (XRD) spectra of epitaxial thin films integrated on a substrate. A convergent x-ray is focused into a stripe on a substrate and the diffracted beam is detected with a two-dimensional x-ray detector, so that the snapshot image represents a mapping of XRD intensity with the axes of the diffraction angle and the position in the sample. High throughput characterization of crystalline structure is carried out for a BaxSr1-xTiO3 composition-spread film on a SrTiO3 substrate. Not only the continuous spread of the composition (x), but also the continuous spread of the growth temperature (T) are given to the film by employing a special heating method. The boundary between the strained lattice and relaxed lattice is visualized by the concurrent XRD as functions of x and T in a high throughput fashion.

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