X-Ray Calc 3: improved software for simulation and inverse problem solving for X-ray reflectivity.
J Appl Crystallogr
; 57(Pt 2): 555-566, 2024 Apr 01.
Article
in En
| MEDLINE
| ID: mdl-38596735
ABSTRACT
This work introduces X-Ray Calc (XRC), an open-source software package designed to simulate X-ray reflectivity (XRR) and address the inverse problem of reconstructing film structures on the basis of measured XRR curves. XRC features a user-friendly graphical interface that facilitates interactive simulation and reconstruction. The software employs a recursive approach based on the Fresnel equations to calculate XRR and incorporates specialized tools for modeling periodic multilayer structures. This article presents the latest version of the X-Ray Calc software (XRC3), with notable improvements. These enhancements encompass an automatic fitting capability for XRR curves utilizing a modified flight particle swarm optimization algorithm. A novel cost function was also developed specifically for fitting XRR curves of periodic structures. Furthermore, the overall user experience has been enhanced by developing a new single-window interface.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
J Appl Crystallogr
Year:
2024
Document type:
Article
Country of publication:
United States