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X-Ray Calc 3: improved software for simulation and inverse problem solving for X-ray reflectivity.

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.

SUBMITTER: Penkov OV

PROVIDER: S-EPMC11001402 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature

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X-Ray Calc 3: improved software for simulation and inverse problem solving for X-ray reflectivity.

Penkov Oleksiy V OV Li Mingfeng M Mikki Said S Devizenko Alexander A Kopylets Ihor I

Journal of applied crystallography 20240315 Pt 2

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 mul ...[more]

PMID: 38596735

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Dataset Information

X-Ray Calc 3: improved software for simulation and inverse problem solving for X-ray reflectivity.

Publications

<i>X-Ray Calc 3</i>: improved software for simulation and inverse problem solving for X-ray reflectivity.

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