Software > CalcZAF and Standard
Penelope/Penepma/Penfluor/Fanal Monte-Carlo Software and Physics
Probeman:
Chad Parish asks:
--- Quote --- I've recently found a very nice parameterization of K-shell electron-impact ionization cross-sections (Talukder et al., Int. J. Mass Spec., V269 (2008) P. 118 and V309 (2012) P. 212) which are very convenient to code into the computer.
I'm not finding similar good (or even fair) parameterizations for L or M-shells. Can anyone recommend good references from which to write code for X-ray cross-sections?
--- End quote ---
Xavier Llovet responds:
--- Quote ---...might be interest in the attached paper. The complete cross section database will be available from NIST very soon (I'll let you know when). If he's interested in an analytical paramaterization, then Fortran subroutines are available from the on-line version of Ref.[31] (Bote et al. ATNDT 95, 871-909, 2009). As easy as it gets.
--- End quote ---
http://scitation.aip.org/content/aip/journal/jpcrd/43/1/10.1063/1.4832851
Probeman:
Chad,
For modeling thin films in for TEM at 80 to 300 keV you'll want to check this topic also:
http://probesoftware.com/smf/index.php?topic=57.0
To extract the k-ratios from the Penepma calculations I suggest using the "Batch Mode" dialog as seen here:
and have all your calculations saved automatically as seen here (for a slightly different example):
Finally, to *manually* extract your intensities to create k-ratios, see this post here:
http://probesoftware.com/smf/index.php?topic=59.msg221#msg221
The above link is best for understanding the gritty details, but the next post describes a new feature which allows one to simply specify the element, x-ray, a folder containing the standard intensity and the folder containing the unknown samples (a separate sub folder for each Penepma batch run).
Easy!
Probeman:
Here I describe a new feature which allows the user to simply specify a few parameters and the program will automatically extract k-ratios from multiple Penepma batch runs...
Starting from the Penepma Batch Mode window as seen here:
specify the element and x-ray to extract k-ratios for and click the Extract K-Ratios button. The program will then ask for two folders, the first for the folder containing the (usually bulk geometry) standard intensity calculation from Penepma for that element as seen here:
Note that the current standard intensity folder containing the pe-intens-01.dat file is empty (indicated by the two closed parentheses), and the program first starts in the C:\UserData\Penepma12\Batch folder to begin with. Therefore the user must browse to the actual folder containing the standard intensity file as seen here:
Next the program will ask for the folder containing the unknown samples, and again it will start in the C:\UserData\Penepma12\Batch folder to begin with, so again, the user must browse to the actual folder containing the unknown intensities as seen here:
After specifying the unknown intensity folder (which contains sub folders created by the Penepma batch mode), the program will automatically output the calculated k-ratios for all samples to a tab delimited text file which can be edited further as necessary. An example of the output is shown here and attached below:
Note that if the user clicks the Extract K-ratios button a second time, the application will start at the last folder specified as seen here:
Probeman:
A new method for Penepma compositional input has been added as seen here:
Using this method one can specify a "weight percent string" such as Fe1Ni99 to get 1 wt.% Fe and 99 wt.% Ni in a composition as seen here:
To differentiate this compositional name from a "formula string" such as Mg2SiO4, the program will automatically append the string "_atom" to formula composition names and the string "_weight" for weight percent string names as seen here:
I should also mention that I have a number of pure elements calculated by Penepma at 10, 15 and 20 keV for use as standards for k-ratio calculations if anyone needs them.
John Donovan:
As mentioned previously I have calculated a number of pure bulk element intensities at 10, 15 and 20 keV for use as standard intensities for typical Penepma k-ratio calculations. The current version of this ZIP file is here:
http://probesoftware.com/download/BulkPureElements.ZIP
It can be extracted to the Penepma folder (usually C:\UserData\Penepma12\Penepma), for example "C:\UserData\Penepma12\Penepma\BulkPureElements" and utilized in the above Extract K-Ratios button in the Penepma Batch Mode window.
Let me know if there are other pure elements we should pre-calculate and have available to save time...
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