3D characterization using transmission electron diffraction, neural network optimization, and density functional theory

2016 ◽  
pp. 667-668
Author(s):  
Robert S. Pennington ◽  
Christoph T. Koch
Keyword(s):  
Neural Network ◽  
Density Functional Theory ◽  
Electron Diffraction ◽  
Network Optimization ◽  
Density Functional ◽  
Functional Theory ◽  
Neural Network Optimization ◽  
Transmission Electron Diffraction ◽  
Transmission Electron

scholarly journals Crystal structure of vyacheslavite, U(PO4)(OH), solved from natural nanocrystal: a precession electron diffraction tomography (PEDT) study and DFT calculations

RSC Advances ◽  
2019 ◽  
Vol 9 (34) ◽  
pp. 19657-19661 ◽  
Author(s):  
Gwladys Steciuk ◽  
Seyedayat Ghazisaeed ◽  
Boris Kiefer ◽  
Jakub Plášil
Keyword(s):  
Crystal Structure ◽  
Density Functional Theory ◽  
Electron Diffraction ◽  
Dft Calculations ◽  
Density Functional ◽  
Diffraction Tomography ◽  
Functional Theory ◽  
Phosphate Mineral ◽  
Precession Electron Diffraction ◽  
Nano Crystal

The crystal structure of the U(iv)-phosphate mineral vyacheslavite has been solved from precession electron diffraction tomography (PEDT) data from the natural nano-crystal and further refined using density-functional theory (DFT) calculations.

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