Data for: "Suppression of sputtering in tungsten fuzz: Interplay of porosity and surface roughness"

Context

This repository contains the data presented in the manuscript entitled "Suppression of sputtering in tungsten fuzz: Interplay of porosity and surface roughness". It showcases the final data, hosts the jupyter notebooks to navigate the data set, plot the figures in the form that appear in the paper, and gives information on how, i.e., with which inputs, the data was generated in the first place. 

Data presentation

The directory ./Data/ contains the data that is illustrated and discussed in the above mentioned manuscript. The CC BY 4.0 license applies to these data.

The files ./Data/Porous_Sputter_Yields.csv and ./Data/Rough_Sputter_Yields.csv host the sputter yields of porous and solid but rough tungsten targets, respectively. They are mere text files in the form of Comma Separated Value tables. A header with column names is given in the first row. Units are eV for energy, degrees for angles and atoms/ion for sputter yields and uncertainties of sputter yields. The jupyter notebook Interactive_Visualisation.ipynb provides an interactive widget with which to navigate, select and plot parts of the data set.

The remaining files (./Data/Lopez_Cupak_AFM_1keV_Ar.txt, ./Data/Lopez_Cupak_AFM_2keV_Ar.txt, ./Data/Lopez_Cupak_Exp_1keV_Ar.txt, ./Data/Lopez_Cupak_Exp_2keV_Ar.txt) present data measured and simulated at TU Wien that are already published in "Comparative study regarding the sputtering yield of nanocolumnar tungsten surfaces under Ar+ irradiation". They were used in the discussion section and compared to original data our study. 

The jupyter notebook Plotting.ipynb contains the python code used for data evaluation and repproduces the figures as they appear in the study. The resulting images are saved in the directory ./Figures/ as Portable Document Format files. 

 Data generation

Data were obtained via the simulation suite SDTrimSP-3D. An exemplary input file is provided (./Data_generation/tri.inp). For the study the parameters symbol, alpha0, e0 and nr_pproj were varied, corresponding to the target element, angle of incidence, incidence projectile energy and simulation statistics. For a full explanation of all parameters as well as the underlying physical models, see the reports/manuals on SDTrimSP as well as SDTrimSP-3D. 

In addition to the input of the physical model parameters, information on the three-dimensional structures of the targets is necessary. We used porous structures of different volume filling factors in the study. For each volume filling factor, we carried out three simulations for the sake of statistics. The corresponding 3D input files are given in the subdirectory of ./Data_generation/Fuzz_structures/, where each following directory name corresponds to the volume filling factor. The files 1.inp, 2.inp and 3.inp are the target input files we used. SDTrimSP-3D deals with only one target at a time; therefore, when running the simulations, only one of these three files per volume filling should be present in the simulation directory and they have to be renamed to fig.inp.

Surface Characteristics

The directory ./Surface_Characteristics/ contains information on the surface envelopes of the otherwise porous fuzz structures. Samples were created in three runs, reflected by the naming of the subdirectories. The naming of the subsequent subdirectories give the nominal volume filling factor. In every one of these, the file rauh.inp is the corresponding SDTrimSP-3D input file, siad.txt gives the surface angle inclination distribution as extracted using Gwyddion, surface.pdf is a visualization and surface_xyz.txt gives the height values of the surface.

The notebook ./Surface_Characteristics/surface_characteristics.ipynb is used to extract data from these individual files and plots the figures that appear in the manuscript.

Software

The notebooks Interactive_Visualisation.ipynb and Plotting.ipynb contain python code used to evaluate and plot (parts of) the data set. They were developed and tested in Python 3.10.12. The MIT license applies to these 2 files. Required packages in the corresponding versions can be installed via the provided file requirements.txt via the command pip install -r requirements.txt.

The matplotlib style sheet sets the default font to Roboto. Ensure that you have Roboto installed. Alternatively, change the line font.family          : Roboto in single_column.mplstyle to a font of your choice or delete it entirely to revert to the matplotlib defaults.  

To run the simulations, SDTrimSP-3D is necessary. Contact sdtrimsp@ipp.mpg.de for an academic license, or info@max-planck-innovation.de for a commercial license. For usage of SDTrimSP, see also the corresponding manuals (SDTrimSP as well as SDTrimSP-3D).

Uncommon file types

• *.inp: Plain text. Input files for SDTrimSP or SDTrimSP-3D simulatitons.
• *.mplstyle: Plain text. Style sheet defining parameters for matplotlib to achieve the styling of the figures. The figures use the Roboto typeface, which might not be installed by default.