XRD total pattern fitting applied to study of microstructure of TiO2 films

2010 ◽  
Vol 25 (2) ◽  
pp. 125-131 ◽  
Author(s):  
Z. Matěj ◽  
R. Kužel ◽  
L. Nichtová
Keyword(s):  
Stress Effect ◽  
Parallel Beam ◽  
Beam Geometry ◽  
Dislocation Models ◽  
Parallel Beam Geometry ◽  
Voigt Model ◽  
Diffraction Peaks ◽  
Log Normal ◽  
Log Normal Distribution

New XRD total pattern fitting software MSTRUCT was used to study the microstructure of magnetron-deposited TiO2 thin films. MSTRUCT is an extension of the FOX program for structure determination from powder diffraction data. MSTRUCT makes corrections for refraction and absorption, residual stress, and preferred orientation that are necessary for thin-film analysis using the parallel-beam geometry and an asymmetric detector scan with small angles of incidence. The program also corrects for crystallite size broadening in terms of log-normal distribution, two models of strain (phenomenological and dislocation models), as well as the influence of stacking faults in the most common cubic and hexagonal structures. The microstructure results obtained by this study show that during crystallization of the amorphous TiO2 films, tensile stresses were generated resulting in anisotropic shifts of diffraction peaks. This was confirmed by in situ crystallization and direct stress measurements. The consideration of the stress effect in terms of the weighted Reuss-Voigt model improved the fits significantly. The stresses were found to depend systematically on the TiO2 film thickness, and their values determined by total pattern fitting agree well with the values measured directly by XRD stress analysis.

Parallel-slit analyzer developed for the purpose of lowering tails of diffraction profiles

1999 ◽  
Vol 32 (6) ◽  
pp. 1145-1151 ◽  
Author(s):  
Go Fujinawa ◽  
H. Toraya ◽  
J.-L. Staudenmann
Keyword(s):  
Stainless Steel ◽  
Total Reflection ◽  
Parallel Beam ◽  
Multilayer Mirror ◽  
Beryllium Bronze ◽  
Beam Geometry ◽  
Parallel Beam Geometry ◽  
Parallel Slit ◽  
Diffraction Peaks ◽  
Cold Worked

A parallel-slit analyzer (PSA) has been developed for the purpose of lowering tails in diffraction profiles from powders and thin films. In the present work, four different materials were used for the foils: sintered and hot-pressed tungsten (W), cold-worked stainless steel (SUS), beryllium bronze (Cu98Be2) and chemically surface-processed beryllium bronze (CuOx). The PSAs were tested in a parallel-beam geometry using CuKα radiation collimated with a gradedd-spacing parabolic multilayer mirror. The W and CuOx PSAs gave pseudo-Voigt profiles of ∼80% Gaussian in the direct-beam case. Textured and roughened surfaces of W and CuOx foils are considered effective for depressing total-reflection effects from the surfaces of the foil materials, and consequently for lowering the tails of diffraction peaks.

X-ray Diffraction Studies of Polycrystalline Thin Films Using Glancing Angle Diffractometry

1988 ◽  
Vol 32 ◽  
pp. 311-321 ◽  
Author(s):  
R.A. Larsen ◽  
T.F. McNulty ◽  
R.P. Goehner ◽  
K.R. Crystal
Keyword(s):  
Thin Films ◽  
Deep Penetration ◽  
X Ray Diffraction ◽  
Parallel Beam ◽  
X Ray ◽  
Beam Geometry ◽  
Polycrystalline Thin Films ◽  
Glancing Angle ◽  
Parallel Beam Geometry

AbstractThe use of conventional θ/2θ diffraction methods for the characterization of polycrystalline thin films is not in general a satisfactory technique due to the relatively deep penetration of x-ray photons in most materials. Glancing incidence diffraction (GID) can compensate for the penetration problems inherent in the θ/2θ geometry. Parallel beam geometry has been developed in conjunction with GID to eliminate the focusing aberrations encountered when performing these types of measurements. During the past yearwe developed a parallel beam attachment which we have successfully configured to a number of systems.

scholarly journals Inverse Fourier Transform in the Gamma Coordinate System

2011 ◽  
Vol 2011 ◽  
pp. 1-16
Author(s):  
Yuchuan Wei ◽  
Hengyong Yu ◽  
Ge Wang
Keyword(s):  
Fourier Transform ◽  
Coordinate System ◽  
Inverse Fourier Transform ◽  
Rotation Axis ◽  
General Scheme ◽  
Weight Functions ◽  
Projection Data ◽  
Parallel Beam ◽  
Beam Geometry ◽  
Parallel Beam Geometry

This paper provides auxiliary results for our general scheme of computed tomography. In 3D parallel-beam geometry, we first demonstrate that the inverse Fourier transform in different coordinate systems leads to different reconstruction formulas and explain why the Radon formula cannot directly work with truncated projection data. Also, we introduce a gamma coordinate system, analyze its properties, compute the Jacobian of the coordinate transform, and define weight functions for the inverse Fourier transform assuming a simple scanning model. Then, we generate Orlov's theorem and a weighted Radon formula from the inverse Fourier transform in the new system. Furthermore, we present the motion equation of the frequency plane and the conditions for sharp points of the instantaneous rotation axis. Our analysis on the motion of the frequency plane is related to the Frenet-Serret theorem in the differential geometry.

D-50 Parallel Beam Geometry After the Hype

2004 ◽  
Vol 19 (2) ◽  
pp. 204-204
Author(s):  
M. Fransen
Keyword(s):  
Parallel Beam ◽  
Beam Geometry ◽  
Parallel Beam Geometry

Application of a single-reflection collimating multilayer optic for X-ray diffraction experiments employing parallel-beam geometry

2008 ◽  
Vol 41 (1) ◽  
pp. 124-133 ◽  
Author(s):  
M. Wohlschlögel ◽  
T. U. Schülli ◽  
B. Lantz ◽  
U. Welzel
Keyword(s):  
Incident Beam ◽  
Grazing Incidence ◽  
Photon Flux ◽  
Data Sets ◽  
Parallel Beam ◽  
X Ray ◽  
Beam Focusing ◽  
Beam Geometry ◽  
Parallel Beam Geometry ◽  
Diffraction Patterns

Instrumental aberrations of a parallel-beam diffractometer equipped with a rotating anode X-ray source, a single-reflection collimating multilayer optic and a parallel-plate collimator in front of the detector have been investigated on the basis of standard measurements (i.e.employing stress- and texture-free isotropic powder specimens exhibiting small or negligible structural diffraction line broadening). It has been shown that a defocusing correction, which is a major instrumental aberration for diffraction patterns collected with divergent-beam (focusing) geometries, is unnecessary for this diffractometer. The performance of the diffractometer equipped with the single-reflection collimating multilayer optic (single-reflection mirror) is compared with the performance of the diffractometer equipped with a Kirkpatrick–Baez optic (cross-coupled Göbel mirror) on the basis of experimental standard measurements and ray-tracing calculations. The results indicate that the use of the single-reflection mirror provides a significant gain in photon flux and brilliance. A high photon flux, high brilliance and minimal divergence of the incident beam make the setup based on the single-reflection mirror particularly suitable for grazing-incidence diffraction, and thus for the investigation of very thin films (yielding low diffracted intensities) and of stress and texture (requiring the acquisition of large measured data sets, corresponding to the variation of the orientation of the diffraction vector with respect to the specimen frame of reference). A comparative discussion of primary optics which can be used to realise parallel-beam geometry shows the range of possible applications of parallel-beam diffractometers and indicates the virtues and disadvantages of the different optics.

The Sensitivity of Focusing, Parallel Beam and Mixed Optics to Alignment Errors in XRD Residual Stress Measurements

2005 ◽  
Vol 490-491 ◽  
pp. 131-136 ◽  
Author(s):  
Arnold C. Vermeulen
Keyword(s):  
Residual Stress ◽  
Incident Beam ◽  
Peak Position ◽  
Beam Optics ◽  
Parallel Beam ◽  
Stress Measurements ◽  
Beam Geometry ◽  
Position Sensitivity ◽  
Parallel Beam Geometry ◽  
Alignment Errors

The sensitivity of various combinations of optics to alignment errors is investigated. A large number of tests with varying specimen displacements and incident beam misalignments are performed for both line and point focus residual stress optics combinations. This investigation includes experiments with mixed combinations of typical “focusing beam optics” and “parallel beam optics”. It is verified if the peak positions are either sensitive to height errors like for the focusing beam geometry or insensitive like for the parallel beam geometry. The peak position sensitivity is classified for all combinations of incident beam and diffracted beam optics modules.

Вычислительная модель рентгеновской компьютерной томографии с функцией оценки плотности

2021 ◽  
Vol 3 ◽  
pp. 53-65
Author(s):  
С.П. Осипов ◽  
И.Г. Ядренкин ◽  
С.В. Чахлов ◽  
О.С. Осипов ◽  
Е.Ю. Усачёв
Keyword(s):  
Test Object ◽  
Parallel Beam ◽  
X Ray ◽  
Virtual Test ◽  
Beam Geometry ◽  
Estimation Function ◽  
Parallel Beam Geometry ◽  
X Ray Computed ◽  
Mathcad Software ◽  
Test Objects

A computational model of X-ray computed tomography with a density estimation function in the parallel beam geometry is proposed. The model includes blocks for simulating and correcting sinograms and reconstructing slices of test object. When generating sinograms, the parameters of the test object, source and detector of X-ray radiation are taken into account. Algorithms of simulation are implemented in the MathCad software and are tested on virtual test objects.

Sign in / Sign up

Export Citation Format

Share Document