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

被引：4

作者：

Penkov, Oleksiy V. ^{[1
,2
]}

Li, Mingfeng ^{[1
]}

Mikki, Said ^{[1
,3
]}

Devizenko, Alexander ^{[4
]}

Kopylets, Ihor ^{[4
]}

机构：

[1] Zhejiang Univ, ZJU UIUC Inst, Haining 314400, Zhejiang, Peoples R China

[2] Univ Illinois, Dept Mech Sci & Engn, Urbana, IL 61801 USA

[3] Univ Illinois, Dept Elect & Comp Engn, Urbana, IL 61801 USA

[4] Natl Tech Univ, Kharkiv Polytech Inst, UA-61002 Kharkiv, Ukraine

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2024年 / 57卷

关键词：

computer simulations; X-ray reflectivity; fitting; X-Ray Calc 3; inverse problems; Levy flight particle swarm optimization; structure reconstruction; periodic multilayer structures; PARTICLE SWARM OPTIMIZATION;

D O I：

10.1107/S1600576724001031

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：555 / 566

页数：12

共 20 条

[1] GenX:: an extensible X-ray reflectivity refinement program utilizing differential evolution [J].

Bjorck, Matts ;

Andersson, Gabriella .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2007, 40 :1174-1178

[2]

Broekhuijsen S., 2021, Licentiate thesis No. 1905

[3] A novel particle swarm optimization algorithm with Levy flight [J].

Hakli, Huseyin ;

Uguz, Harun .

APPLIED SOFT COMPUTING, 2014, 23 :333-345

[4] X-RAY INTERACTIONS - PHOTOABSORPTION, SCATTERING, TRANSMISSION, AND REFLECTION AT E=50-30,000 EV, Z=1-92 [J].

HENKE, BL ;

GULLIKSON, EM ;

DAVIS, JC .

ATOMIC DATA AND NUCLEAR DATA TABLES, 1993, 54 (02) :181-342

[5] JGIXA - A software package for the calculation and fitting of grazing incidence X-ray fluorescence and X-ray reflectivity data for the characterization of nanometer-layers and ultra-shallow-implants [J].

Ingerle, D. ;

Pepponi, G. ;

Meirer, F. ;

Wobrauschek, P. ;

Streli, C. .

SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY, 2016, 118 :20-28

[6] An enhanced particle swarm optimization with levy flight for global optimization [J].

Jensi, R. ;

Jiji, G. Wiselin .

APPLIED SOFT COMPUTING, 2016, 43 :248-261

[7]

KENNEDY J, 2001, SWARM INTELLIGENCE

[8] An Efficient Method for the Experimental Characterization of Periodic Multilayer Mirrors: A Global Optimization Approach [J].

Li, Mingfeng ;

Mikki, Said ;

Uzoma, Paul C. ;

Penkov, Oleksiy V. .

IEEE TRANSACTIONS ON NUCLEAR SCIENCE, 2023, 70 (04) :650-658

[9] SURFACE STUDIES OF SOLIDS BY TOTAL REFLECTION OF X-RAYS [J].

PARRATT, LG .

PHYSICAL REVIEW, 1954, 95 (02) :359-369

[10] Evaluation of structure and mechanical properties of TiZrNi coatings under annealing [J].

Penkov, Oleksiy, V ;

Kopylets, Igor A. ;

Khadem, M. ;

Kondratenko, Valeriy V. ;

Malykhin, Sergiy, V ;

Surovitskiy, Sergiy V. ;

Fedchenko, Anna, V .

THIN SOLID FILMS, 2022, 748

← 1 2 →