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Updated: Jun 13, 2026
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Energy Dispersive X-ray Tomography for 3D Elemental Mapping of Individual Nanoparticles
Published on: July 5, 2016
Using DTSA-II to simulate and interpret energy dispersive spectra from particles
1Surface and Microanalysis Science Division, Chemical Science and Technology Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899-8371, USA. nicholas.ritchie@nist.gov
Summary
Monte Carlo simulations accurately modeled X-ray intensity from a K411 glass particle. Electron beam angle and lateral spread significantly impact X-ray generation in particles.
Area of Science:
- Materials Science
- Analytical Chemistry
- Computational Physics
Background:
- Quantitative X-ray microanalysis often involves analyzing small particles.
- Accurate modeling of X-ray generation in micro-samples is crucial for reliable analysis.
- Previous models may not fully account for complex electron transport in particle geometries.
Purpose of the Study:
- To validate a Monte Carlo simulation for X-ray microanalysis of a glass particle.
- To investigate factors influencing X-ray intensity generated from a particle.
- To compare simulation results with experimental X-ray spectra.
Main Methods:
- Collected high-quality X-ray spectrum from a K411 glass sphere on a copper substrate at 25 keV.
- Modeled the sample configuration using NISTMonte Monte Carlo simulation within DTSA-II software.
- Analyzed the distribution of measured and simulated X-ray intensity for major spectral lines.
Main Results:
- Measured and simulated X-ray intensity distributions showed favorable agreement for major spectral lines.
- Simulation revealed significant deviations from naive models assuming bulk-like X-ray generation within particles.
- Electron beam angle-of-incidence was found to have a non-negligible influence on X-ray intensity.
- Electrons re-entering the particle volume after exiting contributed significantly to X-ray generation.
Conclusions:
- NISTMonte Monte Carlo simulation provides a reliable tool for quantitative X-ray microanalysis of particles.
- Particle geometry and electron scattering effects, including lateral spread, are critical for accurate X-ray generation modeling.
- Future models must incorporate the complex electron transport dynamics within particles for improved accuracy.
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