poldedalmau/tds_fit

Code for an automatic TMAP7 fitter

TDS FIT

During my master's thesis Thermal Desorption Spectroscopy (TDS) has played a central role. As a result, I have worked on a program able to fit TDS spectra with two different methods. One is simply solving the Kissinger equation for different trap energies (and frequency factor). The second one is by using TMAP7. This repository contains my python scripts to fit spectra to a given data set. In the figure below, an example of a TMAP7 fit on a generated data set is shown:

What does this code do?

TMAP7 fitter

The main.py file runs a gradient descent algorithm for 280 iterations (about 20 hours) and saves a plot in the folder \Pol_de_Dalmau_MSc\Poltest\SPGD_tester for each iteration. The data being fitted is generated by the input file \Pol_de_Dalmau_MSc\Poltest\SPGD_tester\Generated.inp with added random noise. The noise is added in the main.py script itself.

Kissinger fitter

This work is still pending

How to use this code

You need to have TMAP7 installed in order to use this code. The main.py script must be in the TMAP7R directory (the same directory as the tmap7.bat and t7.bat files). Before executing the main.py file:

• run the usual "tmap7" command in your terminal.
• run some .inp file as t7 "C:PATH\to\input\filename"
• execute main.py file