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NCSXRF: A General Geometry Monte Carlo Simulation Code for EDXRF Analysis

  • T. He (a1), R. P. Gardner (a1) and K. Verghese (a1)

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EDXRF analysis is conveniently split into two parts: (1) the determination of X-ray intensities and (2) the determination of elemental amounts from X-ray intensities. For the first, most EDXRF analysis has been done by some method of integrating the essentially Gaussian distribution of observed full energy pulse heights. This might be done, for example, by least-square fitting of Gaussian distributions superimposed on a straight line or a quadratic background. Recently more elaborate shapes of the energy peaks also have been considered (Kennedy, 1990). After the X-ray intensities have been determined, interelement effects between the analyte element and other elements must be corrected for in order to obtain the elemental amounts from X-ray intensities. This correction can be done either by an empirical correction procedure as in the influence coefficient method which requires measurements on a number of standard samples to determine the required coefficients, or by theoretical calculation as in the fundamental parameters method which does not require standard samples.

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Biggs, F., Mendelsohn, L. B., and Mann, J. B., 1975, “Hartree-Fock Compton Profiles for the Elements”, Atomic Data and Nuclear Data Tables, 16, 201.
Doster, J. M. and Gardner, R. P., 1982 “The Complete Spectral Response for EDXRF Systems - Calculation by Monte Carlo and Analysis Applications. 1, Homogeneous Samples”, X-Ray Spectrometry, A11(4), 173-180.
Ibid., 1982b, “2. Heterogeneous Samples”, 181-186.
Gardner, R. P. and Hawthorne, A. R., 1975, “Monte Carlo Simulation of the X-Ray Fluorescence Excited by Discrete Energy Photons in Homogeneous Samples Including Tertiary Inter-Element Effects”, X-Ray Spectrometry, 4, 138148.
Gardner, R. P. and Wielopolski, L., 1977a, “A Generalized Method for Correcting Pulse-Height Spectra for the Peak Pile-Up Effect Due to Double Sum Pulses. Fart I. Predicting Spectral Distortion for Arbitrary Pulse Shapes”, Nuclear Instruments and Methods, 140, 289296.
Ibid., 1977b, “Part II. The Inverse Calculation for Obtaining True from Observed Spectra”, 297-303.
Gardner, R. P., Mickael, M. W., and Verghese, K., 1989, “Complete Composition and Density Correlated Sampling in the Specific Purpose Monte Carlo Codes McPNL and McDNL for Simulating Pulsed Neutron and Neutron Porosity Logging Tools”, Nuclear Geophysics, Vol. 3, No. 3, pp. 157165.
Hawthorne, A. R. and Gardner, R. P., 1975, “Monte Carlo Simulation of X-Ray Fluorescence from Homogeneous Multielement Samples Excited by Continuous and Discrete Energy Photons from X-Ray Tubes”, Analytical Chemistry, 47(13), 22202225.
He, T., Gardner, R. P., and Verghese, K., 1990, “An Improved Si(Li) Detector Response Function”, Nuclear Instruments and Methods in Physics Research A299, 354366.
He, T., Dobbs, C. L., Verghese, K. and Gardner, R. P., 1991, “Investigation of Energy- Dispersive X-Ray Fluorescence Analysis for On-Line Aluminum Thickness/Composition Measurement”, Transactions of the American Nuclear Society, Vol. 63, 147148.
Hubbell, J. H., Veigele, W. J., Briggs, E. A., Brown, R. T., Cromer, D. T., and Howerton, R. J., 1975, “Atomic Form Factors, Incoherent Scattering Functions, and Photon Scattering Cross Sections”, J. Phys. Chem. Ref. Data, 4, 471.
Kennedy, G., 1990, “Comparison of Photopeak Integration Methods”, Nuclear Instruments and Methods in Physics Research A299, 342349.
Mickael, M., Gardner, R. P., and Verghese, K., 1988, “An Improved Method for Calculating the Expected Value of Particle Scattering to Finite Detectors in Monte Carlo Simulation”, Nuclear Science and Engineering, 99, 251266.
Prettyman, T. H., Gardner, R. P., and Verghese, K., 1990, “MCPT: A Monte Carlo Code for Simulation of Photon Transport in Tomographic Scanners”, Nuclear Instruments and Methods in Physics Research A299, 516523.
Scofield, J. H., 1975, Atomic Inner-Shell Processes, Academic Press Inc., 265288.
Veigele, W. J., 1973, Atomic Data Tables, 5, 51111.
Verghese, K., Mickael, M., He, T., and Gardner, R. P., “A New Analysis Principle for EDXRF: the Monte Carlo - Library Least-Squares Principle”, Advances in X-Ray Analysis, Vol. 31, pp. 461469.
Yacout, A. M., Gardner, R. P., and Verghese, K., 1984, “Cubic Spline Techniques for Fitting X-Ray Cross Sections”, Nuclear Instruments and Methods in Physics Research, 220, 461472.
Yacout, A. M., Gardner, R. P., and Verghese, K., 1986, “Cubic Spline Representation of the Two-Variable Cumulative Distribution Functions for Coherent and Incoherent X-Ray Scattering”, X-Ray Spectrometry, 15, 259265.
Yacout, A. M., Gardner, R. P., and Verghese, K., 1987, “Monte Carlo Simulation of the XRay Fluorescence Spectra from Multielement Homogeneous and Heterogeneous Samples”, Advances in X-Ray Analysis, 30, 121132.
Williams, B., 1977, Compton Scattering, McGraw-Hill, New York

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NCSXRF: A General Geometry Monte Carlo Simulation Code for EDXRF Analysis

  • T. He (a1), R. P. Gardner (a1) and K. Verghese (a1)

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