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.

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.

Novel Structure of MgSe in the Multimegabar Regime: Positional Parameter Determination

1997 ◽  
Vol 499 ◽  
Author(s):  
Arthur L. Ruoff ◽  
Ting Li ◽  
Chandrabhas Narayana ◽  
Huan Luo ◽  
Raymond G. Greene
Keyword(s):  
Equation Of State ◽  
Structural Transformations ◽  
Energy Dispersive ◽  
Parameter Determination ◽  
X Ray Diffraction ◽  
X Ray ◽  
Positional Parameter ◽  
Novel Structure ◽  
Diffraction Peaks ◽  
Intensity Calculation

ABSTRACTThe structural transformations in the II-VI compound MgSe have been studied under pressure using energy dispersive x-ray diffraction. MgSe transforms ‘continuously’ from the rocksalt (Bl) structure to a FeSi (B28) or Au-Be structure beginning at 99 ± 8 GPa. At 202 GPa, MgSe is approaching 7-fold coordination with u = 0.0828 and w = 0.4173. The method for intensity calculation of the diffraction peaks is presented. Using the Birch equation, the equation of state to 146 GPa was determined with Bo = 62.8 + 1.6 GPa and Bo′ = 4.1.

Control of the phase composition of advanced calcium phosphates using an x-ray diffractometer with a curved position-sensitive detector

2020 ◽  
Vol 86 (6) ◽  
pp. 29-35
Author(s):  
V. P. Sirotinkin ◽  
O. V. Baranov ◽  
A. Yu. Fedotov ◽  
S. M. Barinov
Keyword(s):  
Phase Composition ◽  
Calcium Phosphates ◽  
Position Sensitive Detector ◽  
Sensitive Detector ◽  
X Ray Diffraction ◽  
X Ray ◽  
Impurity Phases ◽  
Position Sensitive ◽  
Diffraction Peaks ◽  
Diffraction Patterns

The results of studying the phase composition of advanced calcium phosphates Ca10(PO4)6(OH)2, β-Ca3(PO4)2, α-Ca3(PO4)2, CaHPO4 · 2H2O, Ca8(HPO4)2(PO4)4 · 5H2O using an x-ray diffractometer with a curved position-sensitive detector are presented. Optimal experimental conditions (angular positions of the x-ray tube and detector, size of the slits, exposure time) were determined with allowance for possible formation of the impurity phases during synthesis. The construction features of diffractometers with a position-sensitive detector affecting the profile characteristics of x-ray diffraction peaks are considered. The composition for calibration of the diffractometer (a mixture of sodium acetate and yttrium oxide) was determined. Theoretical x-ray diffraction patterns for corresponding calcium phosphates are constructed on the basis of the literature data. These x-ray diffraction patterns were used to determine the phase composition of the advanced calcium phosphates. The features of advanced calcium phosphates, which should be taken into account during the phase analysis, are indicated. The powder of high-temperature form of tricalcium phosphate strongly adsorbs water from the environment. A strong texture is observed on the x-ray diffraction spectra of dicalcium phosphate dihydrate. A rather specific x-ray diffraction pattern of octacalcium phosphate pentahydrate revealed the only one strong peak at small angles. In all cases, significant deviations are observed for the recorded angular positions and relative intensity of the diffraction peaks. The results of the study of experimentally obtained mixtures of calcium phosphate are presented. It is shown that the graphic comparison of experimental x-ray diffraction spectra and pre-recorded spectra of the reference calcium phosphates and possible impurity phases is the most effective method. In this case, there is no need for calibration. When using this method, the total time for analysis of one sample is no more than 10 min.

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.

Comparative Studies of Ultra Low-κ Porous Silica Films with 2-D Hexagonal and Disordered Pore Structures

2004 ◽  
Vol 812 ◽  
Author(s):  
Nobutoshi Fujii ◽  
Kazuhiro Yamada ◽  
Yoshiaki Oku ◽  
Nobuhiro Hata ◽  
Yutaka Seino ◽  
...  
Keyword(s):  
Pore Structure ◽  
Nonionic Surfactants ◽  
Porous Silica ◽  
Silica Film ◽  
X Ray Diffraction ◽  
Silica Films ◽  
X Ray ◽  
X Ray Scattering ◽  
Porous Silica Film ◽  
Diffraction Peaks

AbstractPeriodic 2-dimensional (2-D) hexagonal and the disordered pore structure silica films have been developed using nonionic surfactants as the templates. The pore structure was controlled by the static electrical interaction between the micelle of the surfactant and the silica oligomer. No X-ray diffraction peaks were observed for the disordered mesoporous silica films, while the pore diameters of 2.0-4.0 nm could be measured by small angle X-ray scattering spectroscopy. By comparing the properties of the 2-D hexagonal and the disordered porous silica films which have the same porosity, it is found that the disordered porous silica film has advantages in terms of the dielectric constant and Young's modulus as well as the hardness. The disordered porous silica film is more suitable for the interlayer dielectrics for ULSI.

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.

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.

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