Papers by Keyword: Profile Fitting

Abstract: 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 0.03^o and 0.05^o 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.

Abstract: In industrial metrology, measurement and assessment of standard profile features such as planes, cylinders, cones, etc. is an important part. Many algorithms for fitting and noise-reduction of range data from single feature have been proposed. However, according to the definition of workpiece or requirement of drawing, best-fit operation of a pattern of profile features to the true profile should be taken, which requires considering several different features as a whole to fit to the true profile. Currently there’s not so much papers related with this problem. On basis of algorithms for fitting of single profile feature and noise reduction methods, an algorithm for best-fit of a pattern of profile features was presented in this paper. Since it is a nonlinear optimization problem, a method of finding initial estimates was also related in this paper, which is also helpful for the fitting of single cylinder, cone and other standard quadric surfaces.

Abstract: The fundamental parameters approach (FPA) as implemented in TOPAS is investigated for analyses of conventional X-ray powder diffraction (XRPD) data. The FPA involves the convolution of a series of models, each one constituting an individual contribution to the geometric portion of the instrument profile function (IPF). Parameters within each model are refined by least squares to yield a presumably accurate description of the experiment. If one wishes to interrogate the functionality of said models, a diffractometer wherein the uncertainties in optical character are minimized is required. To this end, a diffractometer was built at NIST which featured conventional divergent beam optics in conjunction with a well aligned, stiff, and accurate goniometer assembly. Initial results indicated that the detector arm was flexing; this problem has been addressed with the fabrication and installation of a new arm and counterweight assembly. Data collected from NIST Standard Reference Material (SRM) 660a, lanthanum hexaboride, are analyzed using the FPA method to yield conclusions on the validity of the models with respect to shape and position of the diffraction profiles.