Application of Numerical Method and Statistical Analysis in the Integrated Intensity Calculation of the Peaks from the X-Ray Diffraction (XRD) Pattern of α-Iron

2015 ◽  
Vol 659 ◽  
pp. 350-354 ◽  
Author(s):  
Parinya Chakartnarodom ◽  
Nuntaporn Kongkajun ◽  
Payoon Senthongkaew
Keyword(s):  
Statistical Analysis ◽  
Numerical Method ◽  
Relative Error ◽  
X Ray Diffraction ◽  
Step Size ◽  
Xrd Pattern ◽  
X Ray ◽  
Integrated Intensity ◽  
Preset Time ◽  
Intensity Calculation

The aim of this work is to analyze the error of the calculated integrated intensity of the x-ray peaks of a-iron (BCC-Fe) powder from x-ray diffraction (XRD) pattern by using the numerical method and the statistical analysis. The a-Fe powder was characterized by the x-ray diffractometer using step scan mode, step sizes 0.03o 2q and 0.05o 2q, and preset times from 0.1 to 3.5 s. The integrated intensity () of an x-ray peak and its error () were calculated using numerical method. The correlation between the relative error () and the preset time or step size were analyzed by the statistical analysis methods which are linear regression and statistical hypothesis testing. The results from the statistical analysis at significance level of 0.05 show that the relative error () correlate with x = preset time or integrated intensity by when a1 and a2 are the positive constants. From the mathematical model, for this work, the step size does not affect the relative error. However, the increasing of preset time reduces relative error on integrated intensity calculation. To minimize the error on XRD analysis, the preset time should be greater than one second. Moreover, on a XRD pattern, the lower integrated intensity peak has the higher relative error.

Influence of Scanning Parameters on X-Ray Diffraction Peaks of Copper

2017 ◽  
Vol 751 ◽  
pp. 202-206
Author(s):  
Parinya Chakartnarodom ◽  
Nuntaporn Kongkajun ◽  
Edward A. Laitila
Keyword(s):  
Statistical Analysis ◽  
Relative Error ◽  
X Ray Diffraction ◽  
Step Size ◽  
X Ray ◽  
Integrated Intensity ◽  
Preset Time ◽  
Diffraction Peaks ◽  
Intensity Calculation ◽  
Statistical Analysis Methods

The aim of this work is to study the influence of x-ray diffractometer scanning parameters on the integrated intensity and full-width at half maximum (FWHM) of copper powder x-ray diffraction peaks by using statistical analysis methods. X-ray diffraction (XRD) analysis of the copper powder was accomplished using step scan mode with step sizes of 0.03o and 0.05o 2q, and preset time changes from 0.1-3.5 s. Integrated intensity of an x-ray peak was calculated by the numerical method. FWHM was measured as the width of Pearson VII model of the x-ray peak at the half-maximum intensity. The statistical analysis methods including linear regression and statistical hypothesis test were used to analyze the correlation between the preset time and the error on integrated intensity calculation, and the FWHM of a peak on the XRD pattern. The results from statistical analysis show that increasing the preset time from 0.1 s to 3.5 s does not affect the FWHM of an x-ray peak, but it reduces the relative error in integrated intensity calculation. Moreover, using the preset time greater than 1 s will minimize the relative error in integrated intensity calculation of an x-ray peak. While step size did not affect both the relative error in integrated intensity calculation or FWHM, the smaller step size would provide more data points for better accurate model of an x-ray peak.

High Resolution Replication of Organoclay Surfaces

1982 ◽  
Vol 40 ◽  
pp. 576-577
Author(s):  
W. W. Barker ◽  
W. E. Rigsby ◽  
V. J. Hurst ◽  
W. J. Humphreys
Keyword(s):  
Clay Mineral ◽  
Organic Molecule ◽  
Organic Molecules ◽  
X Ray Diffraction ◽  
Xrd Pattern ◽  
X Ray ◽  
Naturally Occurring ◽  
Silicate Layers ◽  
Mineral Identification

Experimental clay mineral-organic molecule complexes long have been known and some of them have been extensively studied by X-ray diffraction methods. The organic molecules are adsorbed onto the surfaces of the clay minerals, or intercalated between the silicate layers. Natural organo-clays also are widely recognized but generally have not been well characterized. Widely used techniques for clay mineral identification involve treatment of the sample with H2 O2 or other oxidant to destroy any associated organics. This generally simplifies and intensifies the XRD pattern of the clay residue, but helps little with the characterization of the original organoclay. Adequate techniques for the direct observation of synthetic and naturally occurring organoclays are yet to be developed.

scholarly journals Structural and Enhanced Optical Properties of Stabilized γ‒Bi2O3 Nanoparticles: Effect of Oxygen Ion Vacancies

Nanomaterials ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 1023 ◽  
Author(s):  
Ashish Chhaganlal Gandhi ◽  
Chia-Liang Cheng ◽  
Sheng Yun Wu
Keyword(s):  
Room Temperature ◽  
Excess Oxygen ◽  
Ambient Atmosphere ◽  
Photoluminescence Spectra ◽  
X Ray Diffraction ◽  
X Ray ◽  
Band Emission ◽  
Oxygen Ion ◽  
Integrated Intensity ◽  
Effect Of Oxygen

We report the synthesis of room temperature (RT) stabilized γ–Bi2O3 nanoparticles (NPs) at the expense of metallic Bi NPs through annealing in an ambient atmosphere. RT stability of the metastable γ–Bi2O3 NPs is confirmed using synchrotron radiation powder X-ray diffraction and Raman spectroscopy. γ–Bi2O3 NPs exhibited a strong red-band emission peaking at ~701 nm, covering 81% integrated intensity of photoluminescence spectra. Our findings suggest that the RT stabilization and enhanced red-band emission of γ‒Bi2O3 is mediated by excess oxygen ion vacancies generated at the octahedral O(2) sites during the annealing process.

scholarly journals Statistical analysis of the reproducibility of residual stress measurements in cold extruded parts

2021 ◽  
Author(s):  
Fabian Jaeger ◽  
Alessandro Franceschi ◽  
Holger Hoche ◽  
Peter Groche ◽  
Matthias Oechsner
Keyword(s):  
Residual Stress ◽  
Statistical Analysis ◽  
Stress Measurement ◽  
Industrial Applications ◽  
Cold Extrusion ◽  
X Ray Diffraction ◽  
Forming Process ◽  
X Ray ◽  
Stress States ◽  
Key Aspects

AbstractCold extruded components are characterized by residual stresses, which originate from the experienced manufacturing process. For industrial applications, reproducibility and homogeneity of the final components are key aspects for an optimized quality control. Although striving to obtain identical deformation and surface conditions, fluctuation in the manufacturing parameters and contact shear conditions during the forming process may lead to variations of the spatial residual stress distribution in the final product. This could lead to a dependency of the residual stress measurement results on the relative axial and circumferential position on the sample. An attempt to examine this problem is made by the employment of design of experiments (DoE) methods. A statistical analysis of the residual stress results generated through X-Ray diffraction is performed. Additionally, the ability of cold extrusion processes to generate uniform stress states is analyzed on specimens of austenitic stainless steel 1.4404 and possible correlations with the pre-deformed condition are statistically examined. Moreover, the influence of the coating, consisting of oxalate and a MoS2 based lubricant, on the X-Ray diffraction measurements of the surface is investigated.

Quantitative Study of Al/W Interaction In Si/SiO2/W-Ti/Al Thin Film System

1988 ◽  
Vol 119 ◽  
Author(s):  
Hung-Yu Liu ◽  
Peng-Heng Chang ◽  
Jim Bohlman ◽  
Hun-Lian Tsai
Keyword(s):  
Thin Film ◽  
Film System ◽  
X Ray Diffraction ◽  
Compound Formation ◽  
X Ray ◽  
Thin Film System ◽  
Glancing Angle ◽  
Integrated Intensity ◽  
Al Thin Film ◽  
Kinetics Of

AbstractThe interaction of Al and W in the Si/SiO2/W-Ti/Al thin film system is studied quantitatively by glancing angle x-ray diffraction. The formation of Al-W compounds due to annealing is monitored by the variation of the integrated intensity from a few x-ray diffraction peaks of the corresponding compounds. The annealing was conducted at 400°C, 450°C and 500°C from 1 hour to 300 hours. The kinetics of compound formation is determined using x-ray diffraction data and verified by TEM observations. We will also show the correlation of the compound formation to the change of the electrical properties of these films.

Hydrothermal Synthesis and Characterization of BiFeO3 Polyhedral Crystallites

2012 ◽  
Vol 174-177 ◽  
pp. 508-511
Author(s):  
Lin Lin Yang ◽  
Yong Gang Wang ◽  
Yu Jiang Wang ◽  
Xiao Feng Wang
Keyword(s):  
Electron Microscopy ◽  
Scanning Electron Microscopy ◽  
Transmission Electron Microscopy ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Xrd Pattern ◽  
X Ray ◽  
Transmission Electron ◽  
Scanning Electron

BiFeO3 polyhedrons had been successfully synthesized via a hydrothermal method. The as-prepared products were characterized by power X-ray diffraction (XRD) pattern, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The possible mechanisms for the formation of BiFeO3 polyhedrons were discussed. Though comparison experiments, it was found that the kind of precursor played a key role on the morphology control of BiFeO3 crystals.

Step size, scanning speed and shape of X-ray diffraction peak

1994 ◽  
Vol 27 (5) ◽  
pp. 716-722 ◽  
Author(s):  
H. Wang
Keyword(s):  
Scanning Speed ◽  
Peak Position ◽  
Maximum Intensity ◽  
X Ray Diffraction ◽  
Step Size ◽  
X Ray ◽  
Scanning Time ◽  
Integral Width ◽  
Counting Statistics ◽  
Voigt Function

The influences of step size and scanning speed on the shape of a single X-ray diffraction (XRD) peak are analyzed quantitatively. For this purpose, it is assumed that XRD peak shapes are a mixture of Cauchy and Gauss curves. Six equations are established for the calculation of position, maximum intensity and full width at half-maximum (FWHM) errors caused by step size and two for the FWHM errors caused by counting statistics. The ratio of step size to FWHM is proposed as the shape-perfect coefficient of the XRD peak. From these equations and the relationship between the FWHM and the integral width of a peak based on the pseudo-Voigt function or Voigt function, three basic elements of a single symmetric XRD peak (peak position, maximum intensity and FWHM) can be refined. The optimum step size and scanning time can also be set from them.

scholarly journals X-ray diffraction study of structure of CaO-Al2O3-SiO2 ternary compounds in molten and crystalline states

2020 ◽  
Vol 56 (2) ◽  
pp. 269-277
Author(s):  
V.E. Sokol’skii ◽  
D.V. Pruttskov ◽  
O.M. Yakovenko ◽  
V.P. Kazimirov ◽  
O.S. Roik ◽  
...  
Keyword(s):  
Short Range ◽  
Room Temperature ◽  
Short Range Order ◽  
Structural Parameters ◽  
Range Order ◽  
Reverse Monte Carlo ◽  
X Ray Diffraction ◽  
Xrd Pattern ◽  
X Ray ◽  
Ternary Compounds

Anorthite and gehlenite crystalline structure and short-range order of anorthite melt have been studied by X-ray diffraction in the temperature range from room temperature up to ~ 1923 K. The corresponding anorthite and gehlenite phases were identified as well as amorphous component for anorthite samples having identical shape to XRD pattern of the anorthite melt. The structure factor and the radial distribution function of atoms of the anorthite melt were calculated from the X-ray high-temperature experimental data. The partial structural parameters of the short-range order of the melt were reconstructed using Reverse Monte Carlo simulations.

Detection of a metallic glass layer by x-ray diffraction

1986 ◽  
Vol 1 (5) ◽  
pp. 629-634 ◽  
Author(s):  
J.W. McCamy ◽  
M.J. Godbole ◽  
A.J. Pedraza ◽  
D.H. Lowndes
Keyword(s):  
Target Material ◽  
Amorphous Layer ◽  
Glass Layer ◽  
X Rays ◽  
Average Thickness ◽  
X Ray Diffraction ◽  
Near Surface ◽  
X Ray ◽  
Integrated Intensity ◽  
Thickness Measurements

A simple, precise method for obtaining the average thickness of an amorphous layer formed by any surface treatment has been developed. The technique uses an x-ray diffractoeter to measure the reduction in the integrated intensity of several diffracted x-ray lines due to the near surface amorphous layer. The target material for generation of x rays is selected so that the emitted x rays are strongly absorbed by the specimen. This method permits thickness measurements down to ∼ 100 nm. It has been tested on a specimen of Fe80B20 on which an amorphous layer was produced by pulsed XeCl (308 nm) laser irradiation; the amorphous layer thickness was found to be 1.34 (∼0.1) um.

Structure and Tribological Behaviors of Synthetic MoS2 Film Prepared by a Novel Compound Method

2011 ◽  
Vol 217-218 ◽  
pp. 1102-1107 ◽  
Author(s):  
Li Na Zhu ◽  
Cheng Biao Wang ◽  
Hai Dou Wang ◽  
Bin Shi Xu ◽  
Jia Jun Liu ◽  
...  
Keyword(s):  
Low Temperature ◽  
Tribological Behavior ◽  
X Ray Diffraction ◽  
Xrd Pattern ◽  
X Ray ◽  
Tribological Behaviors ◽  
Mos2 Film ◽  
Compound Method ◽  
1045 Steel ◽  
Ball On Disc

In this paper, the structure and tribological properties of synthetic MoS2 film prepared by a novel compound technology—combining magnetron sputtering with low temperature ion sulfurizing were investigated. X-ray diffraction (XRD) pattern for the MoS2 film implies that the film mainly consists of Mo and MoS2 phases. The hardness of the synthetic MoS2 film was 7.44 GPa which was higher than that of the FeS film. The sliding tribological behavior of the MoS2 film was studied by ball-on-disc tests. The results showed that the synthetic MoS2 film possessed excellent friction-reducing and wear-resisting properties. In addition, the tribological behaviors of the MoS2 film were superior to those of the FeS film and original 1045 steel.

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