SKIRT / SKIRT9

SKIRT version 9 -- advanced radiative transfer in dusty systems
http://www.skirt.ugent.be
GNU Affero General Public License v3.0
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Add intrinsic line shapes for key fluorescent lines in XRayAtomicGasMix #216

Closed petercamps closed 3 months ago

petercamps commented 3 months ago

Description This update causes the XRayAtomicGasMix class to emulate the intrinsic shape of the Ka and Kb fluorescence emission lines of the metals Cr, Mn, Fe, Co, Ni, and Cu. This is accomplished by randomly sampling the emitted photon packet energy (wavelength) for a given fluorescence interaction from the appropriate line shape. The class uses the results obtained by Hölzer+97, who measured these intrinsic line shapes in the lab and suggested a parameterisation using a number of Lorentzian components for each line. For the fluorescence transitions not in the above list, the class continues to emit photon packets at the fixed line energy (wavelength) corresponding to the relevant transition, effectively emulating a zero-width line.

Motivation New microcalorimeter X-ray detectors may spectrally resolve the intrinsic line shape of fluorescent lines in the X-ray band, so it seems appropriate to include this feature in SKIRT.

Context Depending on the configuration, some X-ray simulations may run up to about 10% slower.

Tests All X-ray benchmarks in our list still work properly.