An official website of the United States government
Here’s how you know
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
Simulating Electron-excited Energy Dispersive X-ray Spectra with the NIST DTSA-II Open-source Software Platform
Published
Author(s)
Dale E. Newbury, Nicholas Ritchie
Abstract
NIST DTSA-II is a free, open access, and fully-documented comprehensive software platform for electron-excited X-ray microanalysis with energy dispersive spectrometry (EDS), including tools for quantification, measurement optimization, and spectrum simulation. EDS simulation utilizes a Monte Carlo electron trajectory simulation that includes characteristic and continuum X-ray generation, self-absorption, EDS window absorption, and energy-to-charge conversion leading to peak broadening. Spectra are simulated on an absolute basis considering electron dose and spectrometer parameters. Simulated and measured spectra agree within ±25% relative for K-shell and L-shell characteristic X-ray peaks from 1 – 11 keV, while the predicted M-shell intensity was found to exceed the measured value by a factor of 1.4 -2.2 from 1 – 3 keV. The X-ray continuum (bremsstrahlung) intensity agreed within ±10% over the photon energy range from 1 – 10 keV for elements from boron to bismuth. Simulated spectra can be used to develop analytical strategy, such as assessing detection of trace constituents.
Newbury, D.
and Ritchie, N.
(2022),
Simulating Electron-excited Energy Dispersive X-ray Spectra with the NIST DTSA-II Open-source Software Platform, MRS Advances, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=934862
(Accessed December 2, 2024)