X-Ray Calc: A software for the simulation of X-ray reflectivity

• Published in: SoftwareX Vol. 12; p. 100528
• Main Authors: Penkov, Oleksiy V., Kopylets, Igor A., Khadem, Mahdi, Qin, Tianzuo
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.07.2020; Elsevier
• Subjects: Coatings; Fitting; Grazing incidence X-ray reflectometry; Simulation; X-ray reflectivity; X-ray reflectivity; Simulation; Coatings; Fitting; Grazing incidence X-ray reflectometry
• ISSN: 2352-7110; 2352-7110
• DOI: 10.1016/j.softx.2020.100528

X-Ray Calc is a fast and convenient tool for the simulation of X-ray reflectivity (XRR). The software was developed with the aim of simplification and acceleration of the XRR simulation through a user-friendly interface and optimized computation core. X-Ray Calc implements the recursive approach of calculation of XRR based on Fresnel equations and proposes special instruments for the modeling of periodical multilayer structures. X-Ray Calc computes XRR as a function of wavelength or grazing angle and can be used for the simulation of the performance of X-ray mirrors. Computer modeling and fitting to experimental grazing incidence X-ray reflectometry (GIXR) is a powerful tool. It could be used for a comprehensive analysis of the structure of single- and multi-component layered nanomaterials. This method allows for the obtaining of information about thickness, roughness, and density of individual layers in coatings by the fitting of the modeled GIXR to the experimental ones.