Relevant bibliographies by topics / Pseudo-Voigt function

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Academic literature on the topic 'Pseudo-Voigt function'

Author: Grafiati
Published: 5 June 2025
Last updated: 8 July 2025

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Journal articles on the topic "Pseudo-Voigt function"

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Ida, T., M. Ando, and H. Toraya. "Extended pseudo-Voigt function for approximating the Voigt profile." Journal of Applied Crystallography 33, no. 6 (2000): 1311–16. http://dx.doi.org/10.1107/s0021889800010219.

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The formula of the pseudo-Voigt function expressed by a weighted sum of Gaussian and Lorentzian functions is extended by adding two other types of peak functions in order to improve the accuracy when approximating the Voigt profile. The full width at half-maximum (FWHM) values and mixing parameters of the Gaussian, the Lorentzian and the other two component functions in the extended formula can be approximated by polynomials of a parameter ρ = ΓL/(ΓG+ ΓL), where ΓGand ΓLare the FWHM values of the deconvoluted Gaussian and Lorentzian functions, respectively. The maximum deviation of the extended pseudo-Voigt function from the Voigt profile is within 0.12% relative to the peak height when sixth-order polynomial expansions are used. The systematic errors of the integrated intensity ΓGand ΓL, estimated by fitting the extended formula to Voigt profiles, are typically less than 1/10 of the errors arising from the application of the original formula of the pseudo-Voigt approximation proposed by Thompsonet al.[J. Appl. Cryst.(1987),20, 79–83], while the time required for computation of the extended formula is only about 2.5 relative to the computation time required for the original formula.
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Huang, T. C., and G. Lim. "Resolution of Overlapping X-Ray Fluorescence Peaks With the Pseudo-Voigt Function." Advances in X-ray Analysis 29 (1985): 461–68. http://dx.doi.org/10.1154/s0376030800010582.

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AbstractA method for resolving overlapping X-ray fluorescence spectra by curve fitting is described. The profile shape of an experimental fluorescence line obtained by wavelength dispersive method is represented by a simple pseudo-Voigt function, i.e. a sum of an asymmetric Gaussian and Lorentzian, each of equal width. Results showed that the pseudo-Voigt function matched the experimental profiles with high reliability. The relative Gaussian and Lorentzian contents and the asymmetry of the profiles depended upon the analyzing crystal, coliimating system and the 2θ peak position. For fixed crystal and collimator the smaller the 2θ, the larger the Gaussian content and the lower the asymmetry. The original Gaussian and Loretzian components of the exact Voigt function calculated from the parameters of the fitted pseudo-Voigt function explain the broadening effects of the X-ray emission lines and the instrumental aberrations on observed spectra. Curve fitting method with the psuedo- Voigt function has been used successfully to analyze overlapping fluorescence spectra. Examples and applications include a thin film sample where the Kα and the Kβ lines of adjacent transition elements overlap, and a strontium zirconium oxide specimen where the Zr Kα and the Sr Kβ lines strongly interfere. Concentrations obtained from the resolved individual peak intensities of Zr and Sr Kα lines are within ±1% of the true values.
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David, W. I. F. "Powder diffraction peak shapes. Parameterization of the pseudo-Voigt as a Voigt function." Journal of Applied Crystallography 19, no. 1 (1986): 63–64. http://dx.doi.org/10.1107/s0021889886089999.

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David, W. I. F., and J. C. Matthewman. "Profile refinement of powder diffraction patterns using the Voigt function." Journal of Applied Crystallography 18, no. 6 (1985): 461–66. http://dx.doi.org/10.1107/s0021889885010718.

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The Voigt function has been incorporated as a peak-shape description into a program for the refinement of constant-wavelength X-ray and neutron diffraction patterns. The results obtained for neutron diffraction are encouraging and indicate that the Voigt function describes the symmetrical component of the profile peak shape to high accuracy even in the presence of substantial line broadening from particle-size effects. In contrast with approximations to the Voigt function, such as the pseudo-Voigt and Pearson VII functions, the present treatment allows the angular dependences of line-broadening effects resulting from particle-size and instrumental contributions to be coded independently from each other in the Rietveld technique. The present treatment, which details improvements to the symmetrical component of the peak shape, does not offer a fully rigorous description of the peak shape as asymmetry corrections such as those given by Howard [J. Appl. Cryst. (1982), 15, 615–620] are not included.
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Mani, Deepak, Andreas Kupsch, Bernd R. Müller, and Giovanni Bruno. "Diffraction Enhanced Imaging Analysis with Pseudo-Voigt Fit Function." Journal of Imaging 8, no. 8 (2022): 206. http://dx.doi.org/10.3390/jimaging8080206.

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Diffraction enhanced imaging (DEI) is an advanced digital radiographic imaging technique employing the refraction of X-rays to contrast internal interfaces. This study aims to qualitatively and quantitatively evaluate images acquired using this technique and to assess how different fitting functions to the typical rocking curves (RCs) influence the quality of the images. RCs are obtained for every image pixel. This allows the separate determination of the absorption and the refraction properties of the material in a position-sensitive manner. Comparison of various types of fitting functions reveals that the Pseudo-Voigt (PsdV) function is best suited to fit typical RCs. A robust algorithm was developed in the Python programming language, which reliably extracts the physically meaningful information from each pixel of the image. We demonstrate the potential of the algorithm with two specimens: a silicone gel specimen that has well-defined interfaces, and an additively manufactured polycarbonate specimen.
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Baizar, Davor, and Hassel Ledbetter. "Accurate Modeling of Size and Strain Broadening in the Rietveld Refinement: The “Double-Voigt” Approach." Advances in X-ray Analysis 38 (1994): 397–404. http://dx.doi.org/10.1154/s0376030800018048.

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In the “double-Voigt” approach, an exact Voigt function describes both size- and strainbroadened profiles. The lattice strain is defined in terms of physically credible mean-square strain averageid over a distance in the diffracting domains. Analysis of Fourier coefficients in a harmonic approximation for strain coefficients leads to the Warren-Averbach method for the separation of size and strain contributions to diffraction line broadening. The model is introduced in the Rietveld refinement program in the foliowing way: Line widths are modeled with only four parameters in the isotropic case. Varied parameters are both surface- and volumeweighted domain sizes and root-mean-square strains averaged over two distances. Refined parameters determine the physically broadened Voigt line profile. Instrumental Voigt line profile parameters are added to obtain the observed (Voigt) line profile. To speed computation, the corresponding pseudo-Voigt function is calculated and used as a fitting function in refinement. This approach allows for both fast computer code and accurate modeling in terms of physically identifiable parameters.
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Soleimanian, V., and S. R. Aghdaee. "Comparison methods of variance and line profile analysis for the evaluation of microstructures of materials." Powder Diffraction 23, no. 1 (2008): 41–51. http://dx.doi.org/10.1154/1.2888763.

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A comparison of different methods of X-ray diffraction analysis for the determination of crystallite size and microstrain; namely, line profile analysis, Rietveld refinement, and three approaches based on the variance method, is presented. The analyses have been applied to data collected on a ceria sample prepared by the IUCr Commission on Powder Diffraction. In the variance method, split Pearson VII, the Voigt function, and its approximation pseudo-Voigt function were fitted to X-ray diffraction line profiles. Based on the fitting results, the variances of line profiles were calculated and then the crystallite size and root mean square strain were obtained from variance coefficients. A SS plot of Langford as well as a Fourier analysis and Rietveld refinement have been carried out. The average crystallite size and microstrain were determined. The values of area-weighted domain size determined from the variance method are in agreement with those obtained from line profile analysis within a single (largest) standard uncertainty, and the volume-weighted domain sizes derived from the SS plot, Fourier size distribution, and Rietveld refinement agree within a single standard uncertainty. The results of rms strain calculated from variance and Pearson VII shape function and those from Rietveld refinements fall within a single esd. However, the variance method in conjunction with pseudo-Voigt and Voigt functions produce rms strains substantially larger than those determined from line profile analysis and Rietveld refinements.
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Avdeev, Maxim, James Jorgensen, Simine Short, and Robert B. Von Dreele. "On the numerical corrections of time-of-flight neutron powder diffraction data." Journal of Applied Crystallography 40, no. 4 (2007): 710–15. http://dx.doi.org/10.1107/s0021889807030014.

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Time-of-flight neutron powder diffraction data for NIST Standard Reference Materials have been used to study the adequacy of the peak profile model obtained from a convolution of back-to-back exponentials with a pseudo-Voigt function that is widely used in Rietveld refinement. It is shown that, while the empirical models ford-spacing (wavelength) dependence of Gaussian and Lorentzian components of the pseudo-Voigt function and rise exponent are satisfactory, the behavior of the decay exponent and peak positions demonstrate significant deviations, which can be corrected by numerical methods. The practical side of this process as implemented inGSASandFULLPROFand the effect of the corrections on the Rietveld analysis results are discussed.
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Ida, Takashi. "New measures of sharpness for symmetric powder diffraction peak profiles." Journal of Applied Crystallography 41, no. 2 (2008): 393–401. http://dx.doi.org/10.1107/s0021889807067659.

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New measures of sharpness for symmetric powder diffraction peak profiles are proposed. The sharpness parameter is defined through the \nuth-order moment of the Fourier transform of the profile function. Analytical expressions for the sharpness parameter for empirical model profile functions, namely the Gaussian, logistic distribution, hyperbolic secant, Lorentzian, Voigt, Pearson VII and pseudo-Voigt functions, and theoretical size-broadening profiles with statistical size distribution are presented. Theoretical diffraction profiles with complicated formulae can be approximated by empirical model functions assuming equivalent values of the sharpness parameter. The concept of the sharpness parameter provides a simple way to define an approximation for a theoretical diffraction peak profile with empirical model functions.
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Kawamura, Yuki, and Yoshiaki Akiniwa. "Measurement of the X-ray Elastic Constants of Amorphous Polycarbonate." Quantum Beam Science 4, no. 4 (2020): 35. http://dx.doi.org/10.3390/qubs4040035.

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In polymer materials, residual stress introduced during injection molding affects yield reduction due to deformation during molding and delayed fracture during operation, so the establishment of nondestructive stress evaluation of polymer products is desirable. The X-ray elastic constants of polycarbonate were measured for the purpose of obtaining fundamental data for X-ray stress measurement of amorphous polymer materials. The structural function was obtained from the diffraction data, and the strain measured by X-ray was determined from the shift of the first peak by the Q-space method. The peak position was determined using the pseudo-Voigt function approximation method and the diffraction line width method. The Young’s modulus measured by X-ray obtained by the diffraction line width method was close to the mechanical value. Although these values varied widely, they changed depending on the peak ratio. A simple and practical measurement method directly using the raw profile data was also discussed. The Young’s modulus determined by the diffraction line width method decreased with increasing peak ratio. On the other hand, the values determined by the pseudo-Voigt method were almost constant, irrespective of the peak ratio. The strain calculated by the line width method was determined more accurately than that by the pseudo-Voigt method.
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Book chapters on the topic "Pseudo-Voigt function"

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Berti, Giovanni. "Modeling and Optimization Algorithm to Analyse Xrpd Data Via Modulation and Pseudo-Voigt Functions." In Advances in X-Ray Analysis. Springer US, 1997. http://dx.doi.org/10.1007/978-1-4615-5377-9_51.

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Conference papers on the topic "Pseudo-Voigt function"

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Shirokoff, J., J. Courtenay Lewis, John Lewis, and Adriana Predoi-Cross. "Aromaticity Parameters in Asphalt Binders Calculated From Profile Fitting X-ray Line Spectra Using Pearson VII and Pseudo-Voigt Functions." In 20TH INTERNATIONAL CONFERENCE ON SPECTRAL LINE SHAPES. AIP, 2010. http://dx.doi.org/10.1063/1.3517572.

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