scholarly journals heXRD: Modular, Open Source Software for the Analysis of High Energy X-Ray Diffraction Data

2013 ◽  
Author(s):  
D Boyce ◽  
J Bernier
Keyword(s):  
Open Source ◽  
Open Source Software ◽  
Diffraction Data ◽  
High Energy ◽  
X Ray Diffraction ◽  
X Ray

X-Light: an open-source software written in Python to determine the residual stress by X-ray diffraction

2021 ◽  
Vol 54 (4) ◽  
Author(s):  
Tu-Quoc-Sang Pham ◽  
Guillaume Geandier ◽  
Nicolas Ratel-Ramond ◽  
Charles Mareau ◽  
Benoit Malard
Keyword(s):  
Residual Stress ◽  
User Interface ◽  
Synchrotron Radiation ◽  
Stress Analysis ◽  
Open Source ◽  
Graphical User Interface ◽  
Open Source Software ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray

X-Light is an open-source software that is written in Python with a graphical user interface. X-Light was developed to determine residual stress by X-ray diffraction. This software can process the 0D, 1D and 2D diffraction data obtained with laboratory diffractometers or synchrotron radiation. X-Light provides several options for stress analysis and five functions to fit a peak: Gauss, Lorentz, Pearson VII, pseudo-Voigt and Voigt. The residual stress is determined by the conventional sin2ψ method and the fundamental method.

Evaluation of the structural model for ferrihydrite derived from real-space modelling of high-energy X-ray diffraction data

Clay Minerals ◽  
2009 ◽  
Vol 44 (1) ◽  
pp. 19-34 ◽  
Author(s):  
A. Manceau
Keyword(s):  
Diffraction Data ◽  
Structural Model ◽  
High Energy ◽  
Real Space ◽  
Structural Motif ◽  
X Ray Diffraction ◽  
X Ray ◽  
X Ray Scattering ◽  
Crystal Electron ◽  
Tetrahedral Iron

AbstractA new structural model for ferrihydrite that challenges the standard ferrihydrite model established by X-ray diffraction and confirmed by neutron diffraction and single-crystal electron nanodiffraction was recently proposed by Michel et al. (2007a) from the simulation of the pair distribution function obtained by Fourier transformation of diffraction data measured at λ = 0.137 Å. The new ferrihydrite model is isostructural to akdalaite (Al10O14(OH)2), a mineral having the Baker-Figgis δ-isomer of the Al13-Keggin structure as its structural motif. The new model is unrealistic because: (1) it is completely periodic (i.e. defect-free); (2), it has 20% tetravalent octahedral iron (VIFe4+), 20% divalent tetrahedral iron (IVFe2+), and some IVFe–O distances equal to or larger than the VIFe3+–O distances, thus violating Pauling's 2nd rule; (3) it does not describe X-ray diffraction and EXAFS spectroscopic data; and, (4) it is inconsistent with electron microscopy results and contradicts previous X-ray scattering studies.

Analysis of high-energy x-ray diffraction data at high pressure: the case of vitreous As2O3at 32 GPa

2007 ◽  
Vol 19 (41) ◽  
pp. 415103 ◽  
Author(s):  
Q Mei ◽  
C J Benmore ◽  
E Soignard ◽  
S Amin ◽  
J L Yarger
Keyword(s):  
High Pressure ◽  
Diffraction Data ◽  
High Energy ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals DIALS – a toolbox for diffraction data analysis

2014 ◽  
Vol 70 (a1) ◽  
pp. C1440-C1440 ◽  
Author(s):  
Luis Fuentes-Montero ◽  
James Parkhurst ◽  
Graeme Winter ◽  
David Waterman ◽  
Richard Gildea ◽  
...  
Keyword(s):  
Data Analysis ◽  
Open Source Software ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Macromolecular Crystallography ◽  
X Ray Diffraction ◽  
X Ray ◽  
New Methods ◽  
Software Toolbox ◽  
Initial Focus

DIALS is a collaborative initiative to produce an open source software toolbox encompassing all aspects of diffraction data analysis, with an initial focus on X-ray diffraction data from synchrotrons and free-electron lasers for macromolecular crystallography. DIALS [1] has been developed as a modular plug-in framework that permits flexibility not only in the development of new methods and algorithms but also in the application of these methods to data analysis. DIALS builds on the cctbx [2] in addition to its own dedicated tool-kits. We will present the ideas behind DIALS and give examples of its versatility in permitting the use of several spot-finding and indexing schemes, global refinement and both two and three dimensional integration methods.

Characterizations of Synthetic 8mol% YSZ with Comparison to 3mol %YSZ for HT-SOFC

2020 ◽  
Vol 38 (4A) ◽  
pp. 491-500
Author(s):  
Abeer F. Al-Attar ◽  
Saad B. H. Farid ◽  
Fadhil A. Hashim
Keyword(s):  
Ionic Conductivity ◽  
Electrochemical Impedance ◽  
Structural Information ◽  
Impedance Analysis ◽  
High Energy ◽  
Yttria Stabilized Zirconia ◽  
X Ray Diffraction ◽  
Stabilized Zirconia ◽  
Powder Morphology ◽  
X Ray

In this work, Yttria (Y2O3) was successfully doped into tetragonal 3mol% yttria stabilized Zirconia (3YSZ) by high energy-mechanical milling to synthesize 8mol% yttria stabilized Zirconia (8YSZ) used as an electrolyte for high temperature solid oxide fuel cells (HT-SOFC). This work aims to evaluate the densification and ionic conductivity of the sintered electrolytes at 1650°C. The bulk density was measured according to ASTM C373-17. The powder morphology and the microstructure of the sintered electrolytes were analyzed via Field Emission Scanning Electron Microscopy (FESEM). The chemical analysis was obtained with Energy-dispersive X-ray spectroscopy (EDS). Also, X-ray diffraction (XRD) was used to obtain structural information of the starting materials and the sintered electrolytes. The ionic conductivity was obtained through electrochemical impedance spectroscopy (EIS) in the air as a function of temperatures at a frequency range of 100(mHz)-100(kHz). It is found that the 3YSZ has a higher density than the 8YSZ. The impedance analysis showed that the ionic conductivity of the prepared 8YSZ at 800°C is0.906 (S.cm) and it was 0.214(S.cm) of the 3YSZ. Besides, 8YSZ has a lower activation energy 0.774(eV) than that of the 3YSZ 0.901(eV). Thus, the prepared 8YSZ can be nominated as an electrolyte for the HT-SOFC.

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