scholarly journals RaDMaX online: a web-based program for the determination of strain and damage profiles in irradiated crystals using X-ray diffraction

2020 ◽  
Vol 53 (2) ◽  
pp. 587-593
Author(s):  
A. Boulle ◽  
V. Mergnac
Keyword(s):  
Web Application ◽  
The Internet ◽  
Programming Environment ◽  
X Ray Diffraction ◽  
Web Browser ◽  
Web Based ◽  
X Ray ◽  
Depth Profiles ◽  
User Friendly

RaDMaX online is a major update to the previously published RaDMaX (radiation damage in materials analysed with X-ray diffraction) software [Souilah, Boulle & Debelle (2016). J. Appl. Cryst. 49, 311–316]. This program features a user-friendly interface that allows retrieval of strain and disorder depth profiles in irradiated crystals from the simulation of X-ray diffraction data recorded in symmetrical θ/2θ mode. As compared with its predecessor, RaDMaX online has been entirely rewritten in order to be able to run within a simple web browser, therefore avoiding the necessity to install any programming environment on the users' computers. The RaDMaX online web application is written in Python and developed within a Jupyter notebook implementing graphical widgets and interactive plots. RaDMaX online is free and open source and can be accessed on the internet at https://aboulle.github.io/RaDMaX-online/.

scholarly journals RaDMaX: a graphical program for the determination of strain and damage profiles in irradiated crystals

2016 ◽  
Vol 49 (1) ◽  
pp. 311-316 ◽  
Author(s):  
M. Souilah ◽  
A. Boulle ◽  
A. Debelle
Keyword(s):  
Spline Functions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Depth Profiles ◽  
Diffraction Model ◽  
Calculated Curve ◽  
Fitting Procedures ◽  
Damage Depth ◽  
User Friendly

RaDMaX(radiation damage in materials analysed with X-ray diffraction) is a user-friendly graphical program that allows the determination of strain and damage depth profiles in ion-irradiated crystals. This task is achieved by fitting experimental X-ray diffraction data, recorded in symmetrical θ–2θ geometry, with a dynamical diffraction model parametrized with variable strain and damage profiles based onB-spline functions. The strain and damage profiles can be graphically manipulated so as to fit the calculated curve to the experimental data. Automatic fitting procedures (generalized simulated annealing and conventional least squares) are also implemented.RaDMaXis free and open source (CeCILL licence) and can be downloaded from http://aboulle.github.io/RaDMaX.

LauePt, a graphical-user-interface program for simulating and analyzing white-beam X-ray diffraction Laue patterns

2010 ◽  
Vol 43 (4) ◽  
pp. 926-928 ◽  
Author(s):  
X. R. Huang
Keyword(s):  
X Ray Diffraction ◽  
X Ray ◽  
X Ray Crystallography ◽  
White Beam ◽  
Diffraction Geometry ◽  
Wide Range ◽  
User Friendly ◽  
Beam Diffraction ◽  
Laue Method

LauePtis a robust and extremely easy-to-use Windows application for accurately simulating, indexing and analyzing white-beam X-ray diffraction Laue patterns of any crystals under arbitrary diffraction geometry. This program has a user-friendly graphic interface and can be conveniently used by nonspecialists with little X-ray diffraction or crystallography knowledge. Its wide range of applications include (1) determination of single-crystal orientation with the Laue method, (2) white-beam topography, (3) white-beam microdiffraction, (4) X-ray studies of twinning, domains and heterostructures, (5) verification or determination of crystal structures from white-beam diffraction, and (6) teaching of X-ray crystallography.

Determination of Crystal Structure and Cation Distribution in Thin Films

1991 ◽  
Vol 35 (A) ◽  
pp. 151-157
Author(s):  
G. Will ◽  
T. C. Huang ◽  
F. Sequeda
Keyword(s):  
Crystal Structure ◽  
Thin Films ◽  
Grazing Incidence ◽  
High Tech ◽  
X Ray Diffraction ◽  
X Ray ◽  
Depth Profiles ◽  
Scanning Geometry

The structural characterization of thin films is important for research development and manufacturing of electronic, magnetic, optical, and other high-tech materials. The grazing incidence X-ray diffraction technique has bean used successfully for the determination of crystalline phases, structural-depth profiles, crystallite size, and strain, etc. of thin films with thickness's down to a few tens of Å, If the crystal structure, e.g. the distribution of atoms in the unit cell, or the crystallinity and texture (or preferred orientation) of a film is of interest, the conventional Bragg-Brentano diffractometer technique with the θ-2θ scanning geometry has been found to be appropriate.

Determination of depth profiles from X-ray diffraction data

1993 ◽  
Vol 8 (2) ◽  
pp. 122-126 ◽  
Author(s):  
Paul Predecki
Keyword(s):  
Diffraction Data ◽  
Direct Method ◽  
Sample Surface ◽  
Data Sets ◽  
X Ray Diffraction ◽  
Data Set ◽  
X Ray ◽  
Depth Profiles ◽  
A Direct Method

A direct method is described for determining depth profiles (z-profiles) of diffraction data from experimentally determined τ-profiles, where z is the depth beneath the sample surface and τ is the 1/e penetration depth of the X-ray beam. With certain assumptions, the relation between these two profile functions can be expressed in the form of a Laplace transform. The criteria for fitting experimental τ-data to functions which can be utilized by the method are described. The method was applied to two τ-data sets taken from the literature: (1) of residual strain in an A1 thin film and (2) of residual stress in a surface ground A12O3/5vol% TiC composite. For each data set, it was found that the z-profiles obtained were of two types: oscillatory and nonoscillatory. The nonoscillatory profiles appeared to be qualitatively consistent for a given data set. The oscillatory profiles were considered to be not physically realistic. For the data sets considered, the nonoscillatory z-profiles were found to lie consistently above the corresponding τ-profiles, and to approach the τ-profiles at large z, as expected from the relation between the two.

scholarly journals FXD-CSD-GUI: a graphical user interface for the X-ray-diffraction-based determination of crystallite size distributions

2019 ◽  
Vol 52 (6) ◽  
pp. 1437-1439
Author(s):  
Sigmund H. Neher ◽  
Helmut Klein ◽  
Werner F. Kuhs
Keyword(s):  
User Interface ◽  
Graphical User Interface ◽  
Crystal Size ◽  
Data Handling ◽  
Size Distributions ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
User Friendly

Bragg intensities can be used to analyse crystal size distributions in a method called FXD-CSD, which is based on the fast measurement of many Bragg spots using two-dimensional detectors. This work presents the Python-based software and its graphical user interface FXD-CSD-GUI. The GUI enables user-friendly data handling and processing and provides both graphical and numerical crystal size distribution results.

scholarly journals Interactive, Web-Based Calculator of Neutron and X-ray Reflectivity

2017 ◽  
Vol 122 ◽  
Author(s):  
Brian B Maranville
Keyword(s):  
Web Application ◽  
Web Server ◽  
Modeling Tools ◽  
Web Browser ◽  
Web Based ◽  
X Ray

For many users of the neutron and X-ray reflectometry instruments at NIST, these measurements represent a relatively small and specialized part of their research portfolio. As such, providing calculation and modeling tools that are as accessible and easy-to-use as possible is a high priority of the facility. In order to meet this need, a purely web-browser-based calculator for reflectivity modeling and rudimentary fitting has been developed and provided on a publicly accessible web server. Going to https://www.ncnr.nist.gov/instruments/magik/calculators/reflectivity-calculator.html, will load a one-page web application into the browser. Any relatively modern browser with support for ECMAScript 5 will be able to load and run the application. A calculator for magnetic samples can be found at https://www.ncnr.nist.gov/instruments/magik/calculators/magnetic-reflectivity-calculator.html.

Sem and X-Ray Analysis of Renal and Biliary Calculi

1976 ◽  
Vol 34 ◽  
pp. 306-307
Author(s):  
R. J. Narconis ◽  
G. L. Johnson
Keyword(s):  
Chemical Constituents ◽  
Natural State ◽  
X Ray Diffraction ◽  
Chemical Methods ◽  
X Ray ◽  
Additional Dimension ◽  
Biliary Calculi ◽  
Calculus Formation ◽  
Scanning Electron

Analysis of the constituents of renal and biliary calculi may be of help in the management of patients with calculous disease. Several methods of analysis are available for identifying these constituents. Most common are chemical methods, optical crystallography, x-ray diffraction, and infrared spectroscopy. The application of a SEM with x-ray analysis capabilities should be considered as an additional alternative.A scanning electron microscope equipped with an x-ray “mapping” attachment offers an additional dimension in its ability to locate elemental constituents geographically, and thus, provide a clue in determination of possible metabolic etiology in calculus formation. The ability of this method to give an undisturbed view of adjacent layers of elements in their natural state is of advantage in determining the sequence of formation of subsequent layers of chemical constituents.

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