Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

A Model for Characteristic X-Ray Emission in Electron Probe Microanalysis based on the Spherical Harmonic (PN) Method for Electron Transport

Version 1 : Received: 18 January 2021 / Approved: 19 January 2021 / Online: 19 January 2021 (13:20:53 CET)

How to cite: Buenger, J.; Richter, S.; Torrilhon, M. A Model for Characteristic X-Ray Emission in Electron Probe Microanalysis based on the Spherical Harmonic (PN) Method for Electron Transport. Preprints 2021, 2021010380. https://doi.org/10.20944/preprints202101.0380.v1 Buenger, J.; Richter, S.; Torrilhon, M. A Model for Characteristic X-Ray Emission in Electron Probe Microanalysis based on the Spherical Harmonic (PN) Method for Electron Transport. Preprints 2021, 2021010380. https://doi.org/10.20944/preprints202101.0380.v1

Abstract

Classical k-ratio models, e.g. ZAF and phi(rho z), used in electron probe microanalysis (EPMA) assume a homogeneous or multi-layered material structure, which essentially limits the spatial resolution of EPMA to the size of the interaction volume where characteristic x-rays are produced. We present a new model for characteristic x-ray emission that avoids assumptions on the material structure to not restrict the resolution of EPMA a-priori. Our model bases on the spherical harmonic (PN) approximation of the Boltzmann equation for electron transport in continuous slowing down approximation. PN models have a simple structure, are hierarchical in accuracy and well-suited for efficient adjoint-based gradient computation, which makes our model a promising alternative to classical models in terms of improving the resolution of EPMA in the future. We present results of various test cases including a comparison of the PN model to a minimum entropy moment model as well as Monte-Carlo (MC) trajectory sampling, a comparison of PN-based k-ratios to k-ratios obtained with MC, a comparison with experimental data of electron backscattering yields as well as a comparison of PN and Monte-Carlo based on characteristic X-ray generation in a three-dimensional material probe with fine structures.

Keywords

EPMA; deterministic electron transport; k-ratio; moment method; spherical harmonic (PN) approximation; characteristic X-Ray emission

Subject

Chemistry and Materials Science, Biomaterials

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