Xraytrace documentation

input_reference

pklapetek — 2020-05-15T11:04:56+02:00

Input syntax reference Parameter file format and options Here follows a list of all the parameters and their options that can be used within parameter file. Some of them have meaning only if used with other parameters, please refer to other parts of documentation or examples in case of doubts.

source_regimes

pklapetek — 2019-03-13T21:21:19+02:00

Source regimes To create the X-ray standing wave field we need to let the incoming rays to be totally reflected and get interfered with other incoming rays. We have different ways how the rays can be sourced: Rays can be simply casted from a plane outside of the computational volume, hitting some interface in the computational volume where the total reflection condition is met and create the standing wave field. For small angles this however means to have really large computational volume. Thi…

cr_ordered

pklapetek — 2019-02-23T22:39:59+02:00

Cr pads, ordered Ordered circular Cr pads 50 nm pads 50 um distance [1], 2.7 um diameter, 8040 eV, i.e. 0.15423 nm. Square patterns, PTB poster data, 7 keV, 0.1772 nm: Reference [1] S. H. Nowak, F. Reinhardt, B. Beckhoff,J.-C. Dousse and J. Szlachetko, Journal of Analytical Atomic Spectrometry, 28 (5) 689-696, 2013.

material_parameters

pklapetek — 2019-02-21T23:44:37+02:00

Material parameters The materials used within the calculation are represented by materials table, which is supplied as a an input file, defined at the same moment as the data are loaded (see the computational domain section). This file has a simple structure - a set of entries for individual material indices, defining how the system should get the material data. Each row starts by material index (to match the indices in the VTK file or vector file defining the

cr_pads_ptb

pklapetek — 2019-02-19T23:03:30+02:00

Cr pads, disordered Non-continuous layers on which the TER happens on the substrate below them, including particles, semi-spheres, not aligned pads, etc. Here the TER effect on the top surface is very small, so simple semi-analytical model can still be used.

ag_semispheres

pklapetek — 2019-02-17T10:36:16+02:00

Ag semispheres Ag half-spheres on silicon, unknown height, 3450 eV, 0.35937 nm wavelength

agsem.png - created

pklapetek — 2019-02-17T10:35:44+02:00

allcr.png - created

pklapetek — 2019-02-08T12:23:31+02:00

sc2o3_film

pklapetek — 2018-01-28T15:42:31+02:00

Sc₂O₃ film Information from Philipp: It is from this paper: 10.3390/ma7043147X The sample structure is slightly different however: Its Al2O3 on Sc2O3 on Si The thicknesses of 0.14nm for Sc2O3 and 0.15nm for Al2O3 are only estimates. Here we would also need to have either a modeling using the thicknesses and densities or you try different densities and keeping the quantified mass depositions constant (product of density and thickness).

running

pklapetek — 2018-01-28T13:32:56+02:00

Running the computation When we have everything ready, like sample geometry, materials and source, we can run the calculation. There are may controls that can be used here. First of all, as we are raytracing, we should set the number of rays that will be casted, e.g.

speedups.png - created

pklapetek — 2018-01-28T13:28:58+02:00

au_particles

pklapetek — 2018-01-27T22:47:10+02:00

Au particles An example of measurements on Au particles of different heights on silicon is in work of by Tiwari et. al [1]. The measurement is performed for 15 keV incident beam energy, i.e. 0.0826 nm wavelength. Two graphs taken from Ref [1] are show here for reference, top one is for 90 nm particles and bottom one for 250 nm particles.

ausimple.png - created

pklapetek — 2018-01-27T22:46:50+02:00

samples:au_sphere_90nm.tar.gz - created

pklapetek — 2018-01-27T22:42:39+02:00

cr_structures

pklapetek — 2018-01-27T17:45:02+02:00

Cr pads, film and bulk 50 nm chromium pads and film on silicon presented by Nowak et al [1], 5.5 keV (guessed, not provided), 0.22543 nm wavelength By using the simple model we get the following curves: Reference [1] S.H. Nowak, D. Banaśb, W. Błchucki, W. Cao, J.-Cl. Dousse, P. Hönicke, J. Hoszowska, Ł. Jabłoński, Y. Kayser, A. Kubala-Kukuś, M. Pajek, F. Reinhardt, A.V. Savu, J. Szlachetko, Spectrochimica acta part B: Atomic Spectroscopy 98, 2014, 65-75

crsimple.png - created

pklapetek — 2018-01-27T16:14:53+02:00

xsw

pklapetek — 2018-01-27T16:02:44+02:00

Xray standing wave technique Xraytrace was built to be able to handle various second-order effects in X-ray standing wave (XSW) based measurement. XSW technique is based on total external reflection of x-rays on a sample surface, which leads to formation of a standing wave above surface. By changing the incident angle we can change the period of the standing wave which can be used for profiling the objects on the surface.

crordered.png - created

pklapetek — 2018-01-27T15:10:54+02:00

samples:nickel_simple.tar.gz - created

pklapetek — 2018-01-27T14:28:21+02:00

ni_simple.png - created

pklapetek — 2018-01-27T14:27:58+02:00