Secondary Fluorescence Correction for Characteristic and Bremsstrahlung X-Rays Using Monte Carlo X-ray Depth Distributions Applied to Bulk and Multilayer Materials

2019 ◽  
Vol 25 (1) ◽  
pp. 92-104 ◽  
Author(s):  
Yu Yuan ◽  
Hendrix Demers ◽  
Samantha Rudinsky ◽  
Raynald Gauvin
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Hybrid Model ◽  
Analytical Models ◽  
X Rays ◽  
Monte Carlo Program ◽  
X Ray ◽  
Secondary Fluorescence ◽  
Depth Distributions ◽  
Multilayer Materials

AbstractSecondary fluorescence effects are important sources of characteristic X-ray emissions, especially for materials with complicated geometries. Currently, three approaches are used to calculate fluorescence X-ray intensities. One is using Monte Carlo simulations, which are accurate but have drawbacks such as long computation times. The second one is to use analytical models, which are computationally efficient, but limited to specific geometries. The last approach is a hybrid model, which combines Monte Carlo simulations and analytical calculations. In this article, a program is developed by combining Monte Carlo simulations for X-ray depth distributions and an analytical model to calculate the secondary fluorescence. The X-ray depth distribution curves of both the characteristic and bremsstrahlung X-rays obtained from Monte Carlo program MC X-ray allow us to quickly calculate the total fluorescence X-ray intensities. The fluorescence correction program can be applied to both bulk and multilayer materials. Examples for both cases are shown. Simulated results of our program are compared with both experimental data from the literature and simulation data from PENEPMA and DTSA-II. The practical application of the hybrid model is presented by comparing with the complete Monte Carlo program.

scholarly journals A hydroxyapatite phantom material for the calibration of in vivo x-ray fluorescence systems of bone strontium and lead quantification

2021 ◽  
Author(s):  
Eric Da Silva
Keyword(s):  
Monte Carlo ◽  
Soft Tissue ◽  
Monte Carlo Simulations ◽  
Calibration Procedure ◽  
X Rays ◽  
X Ray ◽  
Total Phosphate Concentration ◽  
High Concentrations ◽  
Phantom Material

A hydroxyaptite [HAp; Ca5(PO4)3OH] phantom material was developed with the goal of improving the calibration protocol of the 125I-induced in vivo X-ray fluorescence (IVXRF) system of bone strontium quantification with further application to other IVXRF bone metal quantification systems, particulary those associated with bone lead quantification. It was found that calcium can be prepared pure of inherent contamination from strontium (and other elements) through a hydroxide precipitation producing pure Ca(OH)2, thereby, allowing for the production of a blank phantom which has not been available previously. The pure Ca(OH)2 can then be used for the preparation of pure CaHPO4 ⋅ 2H2O. A solid state pure HAp phantom can then be prepared by reaction of Ca(OH)2 and CaHPO4 ⋅ 2H2O mixed as to produce a Ca/P mole ratio of 1.67, that in HAp and the mineral phase of bone, in the presence of a setting solution prepared as to raise the total phosphate concentration of the solution by increasing the solubility CaHPO4 ⋅ 2H2O and thereby precipitating HAp. The procedure can only be used to prepare phantoms in which doping with the analyte does not disturb the Ca/P ratio substantially. In cases in which phantoms are to be prepared with high concentrations of strontium, the cement mixture can be modified as to introduce strontium in the form of Sr(OH)2 ⋅ 8H2O as to maintain a (Ca + Sr)/P ratio of 1.67. It was found by both X-ray diffraction spectrometry and Raman spectroscopy studies that strontium substitutes for calcium as in bone when preparing phantoms by this route. The necessity for the blank bone phantoms was assessed through the first blank bone phantom measurement and Monte Carlo simulations. It was found that for the 125I-induced IVXRF system of bone strontium quantification, the source, 125I brachytherapy seeds may be contributing coherently and incoherently scattered zirconium X-rays to the measured spectra, thereby requiring the use of the blank bone phantom as a means of improving the overall quantification methodology. Monte Carlo simulations were employed to evaluate any improvement by the introduction of HAp phantoms into the coherent normalization-based calibration procedure. It was found that HAp phantoms remove the need for a coherent conversion factor (CCF) thereby potentially increasing accuracy of the quantification. Further, it was found that in order for soft tissue attenuation corrections to be possible using spectroscopic information alone, HAp along with a suitable soft tissue surrogate material need to be employed. The HAp phantom material was used for the evaluations of portable X-ray analyzer systems for their potential for IVXRF quantification of lead and strontium with a focus on a comparison between tungsten, silver and rhodium target systems. Silver and rhodium target X-ray tube systems were found to be comparable for this quantification.

Secondary Fluorescence of 3D Heterogeneous Materials Using a Hybrid Model

2020 ◽  
Vol 26 (3) ◽  
pp. 484-496
Author(s):  
Yu Yuan ◽  
Hendrix Demers ◽  
Xianglong Wang ◽  
Raynald Gauvin
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Analytical Model ◽  
Hybrid Model ◽  
Three Dimensional ◽  
Heterogeneous Materials ◽  
X Ray ◽  
The Monte Carlo Method ◽  
Secondary Fluorescence ◽  
Good Agreement

AbstractIn electron probe microanalysis or scanning electron microscopy, the Monte Carlo method is widely used for modeling electron transport within specimens and calculating X-ray spectra. For an accurate simulation, the calculation of secondary fluorescence (SF) is necessary, especially for samples with complex geometries. In this study, we developed a program, using a hybrid model that combines the Monte Carlo simulation with an analytical model, to perform SF correction for three-dimensional (3D) heterogeneous materials. The Monte Carlo simulation is performed using MC X-ray, a Monte Carlo program, to obtain the 3D primary X-ray distribution, which becomes the input of the analytical model. The voxel-based calculation of MC X-ray enables the model to be applicable to arbitrary samples. We demonstrate the derivation of the analytical model in detail and present the 3D X-ray distributions for both primary and secondary fluorescence to illustrate the capability of our program. Examples for non-diffusion couples and spherical inclusions inside matrices are shown. The results of our program are compared with experimental data from references and with results from other Monte Carlo codes. They are found to be in good agreement.

Monte Carlo Simulation of Characteristic Secondary Fluorescence in Electron Probe Microanalysis of Homogeneous Samples Using the Splitting Technique

2015 ◽  
Vol 21 (3) ◽  
pp. 753-758 ◽  
Author(s):  
Mauricio Petaccia ◽  
Silvina Segui ◽  
Gustavo Castellano
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Electron Probe Microanalysis ◽  
Electron Probe ◽  
Variance Reduction ◽  
Fluorescence Enhancement ◽  
Radiation Transport ◽  
X Rays ◽  
X Ray ◽  
Secondary Fluorescence

AbstractElectron probe microanalysis (EPMA) is based on the comparison of characteristic intensities induced by monoenergetic electrons. When the electron beam ionizes inner atomic shells and these ionizations cause the emission of characteristic X-rays, secondary fluorescence can occur, originating from ionizations induced by X-ray photons produced by the primary electron interactions. As detectors are unable to distinguish the origin of these characteristic X-rays, Monte Carlo simulation of radiation transport becomes a determinant tool in the study of this fluorescence enhancement. In this work, characteristic secondary fluorescence enhancement in EPMA has been studied by using the splitting routines offered by PENELOPE 2008 as a variance reduction alternative. This approach is controlled by a single parameter NSPLIT, which represents the desired number of X-ray photon replicas. The dependence of the uncertainties associated with secondary intensities on NSPLIT was studied as a function of the accelerating voltage and the sample composition in a simple binary alloy in which this effect becomes relevant. The achieved efficiencies for the simulated secondary intensities bear a remarkable improvement when increasing the NSPLIT parameter; although in most cases an NSPLIT value of 100 is sufficient, some less likely enhancements may require stronger splitting in order to increase the efficiency associated with the simulation of secondary intensities.

Monte Carlo simulations for the evaluation of various influence factors on projections in computed tomography

2010 ◽  
Vol 25 (2) ◽  
pp. 165-168
Author(s):  
B. Chyba ◽  
M. Mantler ◽  
M. Reiter
Keyword(s):  
Computed Tomography ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
National Laboratory ◽  
Light Yield ◽  
Thin Layers ◽  
Detector Response ◽  
X Rays ◽  
Los Alamos ◽  
X Ray

This paper presents Monte Carlo simulations considering all stages of the creation process of two-dimensional projections in a computed tomography (CT) device: excitation of angle dependent X-ray spectra within the X-ray tube using results from a previous study [Chyba et al. (2008). Powder Diffr. 23, 150–153]; interaction of these X-rays and secondary photoelectrons with a simple inhomogeneous sample; and interaction of X-rays and photoelectrons with the components (thin layers) of a matrix scintillation detector. The simulations were carried out by using custom software running on up to 50 nodes of a computer cluster. Comparative calculations were also made by using the software package MCNP [Booth et al. (2003). MCNP—A general Monte Carlo N-particle transport code, Report LAUR 03-1987, Los Alamos National Laboratory, Los Alamos, NM]. Tube spectra were calculated with algorithms proposed by Ebel [(2006). Adv. X-Ray Anal. 49, 267–273]. Measurements for the chosen setup made with an available CT device were in relatively good agreement with calculated results. It was shown that good knowledge of the tube spectra is of importance, but most differences between resulting projections and measurements are caused by uncertainties concerning detector response due to light yield of the scintillator and to internal scattering effects within the thin detector layers which lead to spreading of a detected point signal within the detector matrix into neighboring matrix elements.

Modelling Photoelectron Effects In X-Ray Lithography

1993 ◽  
Vol 306 ◽  
Author(s):  
L. E. Ocola ◽  
F. Cerrina
Keyword(s):  
Monte Carlo ◽  
Spatial Distribution ◽  
Kinetic Energy ◽  
Monte Carlo Simulations ◽  
Energy Range ◽  
X Rays ◽  
X Ray ◽  
Atomic Species ◽  
Energy Dependent ◽  
X Ray Absorption

AbstractThe study of photoelectron effects in X-ray Lithography motivates the need for modeling codes to simulate these effects to have an estimate of the influence of x-ray generated photoelectrons in the exposure of resists. We have performed a series of Monte Carlo simulations to study the spatial distribution of photoelectrons in a resist, PMMA, and parametrized this distribution with a set of energy-dependent gaussians for monochromatic X-rays within an energy range of 0.5 KeV to 2.5 KeV. We discuss the effects of the the redistribution of the photoelectron kinetic energy as a function of the electrons generated by the x-ray absorption in various atomic species.

A hydroxyapatite phantom material for the calibration of in vivo x-ray fluorescence systems of bone strontium and lead quantification

2021 ◽  
Author(s):  
Eric Da Silva
Keyword(s):  
Monte Carlo ◽  
Soft Tissue ◽  
Monte Carlo Simulations ◽  
Calibration Procedure ◽  
X Rays ◽  
X Ray ◽  
Total Phosphate Concentration ◽  
High Concentrations ◽  
Phantom Material

A hydroxyaptite [HAp; Ca5(PO4)3OH] phantom material was developed with the goal of improving the calibration protocol of the 125I-induced in vivo X-ray fluorescence (IVXRF) system of bone strontium quantification with further application to other IVXRF bone metal quantification systems, particulary those associated with bone lead quantification. It was found that calcium can be prepared pure of inherent contamination from strontium (and other elements) through a hydroxide precipitation producing pure Ca(OH)2, thereby, allowing for the production of a blank phantom which has not been available previously. The pure Ca(OH)2 can then be used for the preparation of pure CaHPO4 ⋅ 2H2O. A solid state pure HAp phantom can then be prepared by reaction of Ca(OH)2 and CaHPO4 ⋅ 2H2O mixed as to produce a Ca/P mole ratio of 1.67, that in HAp and the mineral phase of bone, in the presence of a setting solution prepared as to raise the total phosphate concentration of the solution by increasing the solubility CaHPO4 ⋅ 2H2O and thereby precipitating HAp. The procedure can only be used to prepare phantoms in which doping with the analyte does not disturb the Ca/P ratio substantially. In cases in which phantoms are to be prepared with high concentrations of strontium, the cement mixture can be modified as to introduce strontium in the form of Sr(OH)2 ⋅ 8H2O as to maintain a (Ca + Sr)/P ratio of 1.67. It was found by both X-ray diffraction spectrometry and Raman spectroscopy studies that strontium substitutes for calcium as in bone when preparing phantoms by this route. The necessity for the blank bone phantoms was assessed through the first blank bone phantom measurement and Monte Carlo simulations. It was found that for the 125I-induced IVXRF system of bone strontium quantification, the source, 125I brachytherapy seeds may be contributing coherently and incoherently scattered zirconium X-rays to the measured spectra, thereby requiring the use of the blank bone phantom as a means of improving the overall quantification methodology. Monte Carlo simulations were employed to evaluate any improvement by the introduction of HAp phantoms into the coherent normalization-based calibration procedure. It was found that HAp phantoms remove the need for a coherent conversion factor (CCF) thereby potentially increasing accuracy of the quantification. Further, it was found that in order for soft tissue attenuation corrections to be possible using spectroscopic information alone, HAp along with a suitable soft tissue surrogate material need to be employed. The HAp phantom material was used for the evaluations of portable X-ray analyzer systems for their potential for IVXRF quantification of lead and strontium with a focus on a comparison between tungsten, silver and rhodium target systems. Silver and rhodium target X-ray tube systems were found to be comparable for this quantification.

Characterization and modelling of germanium assembled crystals for the diffraction of thermal neutrons

2004 ◽  
Vol 37 (5) ◽  
pp. 732-742 ◽  
Author(s):  
Lucia Alianelli ◽  
Manuel Sánchez del Río ◽  
Roberto Felici
Keyword(s):  
Experimental Data ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Analytical Models ◽  
Thermal Neutrons ◽  
X Ray Diffraction ◽  
Real Crystal ◽  
X Ray

Two assembled germanium crystals, produced for use as neutron monochromators, are characterized by means of neutron and X-ray diffraction. The neutron and synchrotron experimental data (reflectivity profiles and topographs) are compared with calculations based on analytical models and Monte Carlo simulations. Our results show the limits of the standard theories and indicate that full Monte Carlo simulations can be a valid tool for interpreting real crystal reflectivities.

Low-voltage EDS of magnesium ferrite Dendrites in a FEG-SEM

1996 ◽  
Vol 54 ◽  
pp. 478-479
Author(s):  
Matthew T. Johnson ◽  
Ian M. Anderson ◽  
Jim Bentley ◽  
C. Barry Carter
Keyword(s):  
Monte Carlo ◽  
Quantitative Analysis ◽  
Monte Carlo Simulations ◽  
Cross Section ◽  
Spatial Resolution ◽  
Low Voltage ◽  
Magnesium Ferrite ◽  
X Ray ◽  
Interaction Volume ◽  
Ferrite Spinel

Energy-dispersive X-ray spectrometry (EDS) performed at low (≤ 5 kV) accelerating voltages in the SEM has the potential for providing quantitative microanalytical information with a spatial resolution of ∼100 nm. In the present work, EDS analyses were performed on magnesium ferrite spinel [(MgxFe1−x)Fe2O4] dendrites embedded in a MgO matrix, as shown in Fig. 1. spatial resolution of X-ray microanalysis at conventional accelerating voltages is insufficient for the quantitative analysis of these dendrites, which have widths of the order of a few hundred nanometers, without deconvolution of contributions from the MgO matrix. However, Monte Carlo simulations indicate that the interaction volume for MgFe2O4 is ∼150 nm at 3 kV accelerating voltage and therefore sufficient to analyze the dendrites without matrix contributions.Single-crystal {001}-oriented MgO was reacted with hematite (Fe2O3) powder for 6 h at 1450°C in air and furnace cooled. The specimen was then cleaved to expose a clean cross-section suitable for microanalysis.

scholarly journals Modular MA-XRF Scanner Development in the Multi-Analytical Characterisation of a 17th Century Azulejo from Portugal

Sensors ◽  
2021 ◽  
Vol 21 (5) ◽  
pp. 1913
Author(s):  
Sergio Augusto Barcellos Lins ◽  
Marta Manso ◽  
Pedro Augusto Barcellos Lins ◽  
Antonio Brunetti ◽  
Armida Sodo ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
17Th Century ◽  
Scanning System ◽  
X Ray ◽  
Portable Instruments ◽  
Complementary Techniques ◽  
Non Destructive ◽  
Suitable Technique ◽  
Cobalt Blue

A modular X-ray scanning system was developed, to fill in the gap between portable instruments (with a limited analytical area) and mobile instruments (with large analytical areas, and sometimes bulky and difficult to transport). The scanner has been compared to a commercial tabletop instrument, by analysing a Portuguese tile (azulejo) from the 17th century. Complementary techniques were used to achieve a throughout characterisation of the sample in a complete non-destructive approach. The complexity of the acquired X-ray fluorescence (XRF) spectra, due to inherent sample stratigraphy, has been resolved using Monte Carlo simulations, and Raman spectroscopy, as the most suitable technique to complement the analysis of azulejos colours, yielding satisfactory results. The colouring agents were identified as cobalt blue and a Zn-modified Naples-yellow. The stratigraphy of the area under study was partially modelled with Monte Carlo simulations. The scanners performance has been compared by evaluating the images outputs and the global spectrum.

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