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Bragg Edge Modeling

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The following tutorial will guide, step by step, in a full Bragg Edge Modeling

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Requirements

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Input file

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You will need a VDrive file (vdrive_filename.txt) generated by the VULCAN instrument. This file should looks like this

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Python code

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You need to clone the bragg edge repository (this won’t be necessary as soon as the library has been deployed).

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  • start a terminal session
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  • clone braggedgemodeling repo

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    cd ~/

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    git clone https://github.com/ornlneutronimaging/braggedgemodeling

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    cd braggedgemodeling

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    • + +

  • switch to texture branch

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    git checkout texture

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    • + +

  • add to python path

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    export PYTHONPATH=$PWD:$PYTHONPATH

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    • +
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Step 1 - Prepare VDrive file

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In order to run the VDrive file through the Matlab code (step 2), we need to change the format of this file. To do so +simply run the following command line (make sure you provide your own file path)

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NB: Add braggedgemodeling repo to python path !

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> python braggedgemodeling/scripts/vdrive_handler_to_mtex.py
+    -i <full path to the vdrive filename.txt>
+    -io <specify full filename of an intermediate file>
+    -o <full path to output file, prefered extension .rpf>
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+ +

Example

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> python scripts/vdrive_handler_to_mtex.py
+    -i ~/Desktop/vdrive_filename.txt
+    -o ~/Desktop/VULCAN.rpf
+    -io ~/Desktop/intermediate_file
+
+ +

Here is what the output file should look like

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Step 2 - Matlab code

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  • Right now, this code only works on VULCAN2 computer, so connect to https://vulcan2.sns.gov

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  • From there, launch Matlab2014a as this version is the only working for the code we are going to use.

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  • Within Matlab, move to folder /user/local/mtex-3.5.0
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  • start startup_mtex from the Matlab command
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  • We need to import the pole figure (file created in Step 1), + +
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    • click the Import pole figure data blue line
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    • click + to select input file (~/Desktop/VULCAN.rpf)
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    • click Next >> and select Crystal Coordinate System Laue Group +_ click several times Next >> or just Finish
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  • A matlab script is created, make sure the specimen symetry is the one you specified in the GUI (BUG in the Matlab +program!!!). If incorect, make sure you edit the file and replace it with the orientation you choosed.
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  • Save the file and Run it. This will produce a few variables listed in the workspace window (right side +of Matlab UI).
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  • We need to create now the ODF file by just entering the following script in Matlab command line
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  • And now the final step where we need to export the ODF data. But we first need to specify the number of +graind orientation (default 5000) by editing the export_vPSC1 file.
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FIX ME!!! find a way to make this script available to user (put it inside the mtex code

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  • Run the export_vPSC1 script from Matlab command line
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And here is the final file created, texture.txt

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