XThermoTools


XThermoTools is an official XMapTools extension for thermodynamic calculations based on compositional maps. It includes the most up-to-date version of Bingo-Antidote (Lanari & Duesterhoeft 2019; Duesterhoeft & Lanari 2020).

How to add XThermoTools to XMapTools?

XThermoTools can be downloaded using the Extension manager available in XMapTools:

  1. Open MATLAB©, set the working directory and open XMapTools
  2. In menu, select File > Add-Ons > Manage Extensions
  3. Find XThermoTools in the Extension manager
  4. Press the button Download (or Delete & Download to update the add-on)
  5. The add-on is downloaded and installed automatically

How to establish the link with Theriak-Domino?

The Gibbs energy minimiser Theriak-Domino is required to use Bingo-Antidote in the add-on XThermoTools.

Compatibility information

Bingo-Antidote is compatible with the last public version of Theriak-Domino. However, we strongly recommend to use one of the pre-compiled versions of Theriak-Domino (mandatory for Windows’ users) as well as the database files which are provided in the package (see below).

Bingo-Antidote is not compatible with older versions of Theriak-Domino including the versions distributed by Doug Tinkham.

Note to Windows’ users. The versions of Theriak-Domino compiled with MinGW have some issues (see the discussion here) preventing these versions to be compatible with Bingo-Antidote.

Connecting Theriak-Domino and Bingo-Antidote

The add-on setup is checked and if necessary installation is performed while opening XThermoTools. The location of Theriak-Domino can be set during the installation process.

Procedure (valid for the first time XThermoTools is opened):

  1. Open MATLAB©, set the working directory and open XMapTools
  2. Open a project containing the appropriate mapping data (see below)
  3. Switch to the workspace Quanti, select XThermoTools in the add-on menu and press Apply
  4. Select the relevant Theriak-Domino directory in XThermoTools/XTT_Programs/…

Three compiled versions are available:

  • TheriakDominoMAC: This MAC version was compiled using gfortran (see the install procedure here to install gfortran). You need to have Xcode and gfortran installed on your machine
  • TheriakDominoMAC_Intel: This MAC version was compiled using an Intel compiler and is supposed to work on all MAC computers
  • TheriakDominoWIN: This version was compiled using Cygwin and is recommended for Window’s users. WARNING: the dll files provided here should be copied to C:\Windows\ before to use the add-on

How to get started?

Follow tutorial 3 in the user guide for a guided step-by-step first experience of Bingo-Antidote in XThermoTools.

Mapping data required

XThermoTools requires the following data:

  1. Compositional maps containing pixel compositions expressed in weight-percentage of oxides. This dataset can be generated using the Merge functionality available in the workspace Quanti. Quantitative maps with different formats can be converted using the standardisation option Transfer to Quanti
  2. The corresponding mask file selected in the menu Mask File located in the left panel
  3. A density map generated for the selected mask file in Quanti

Running XThermoTools from XMapTools

  1. Open XMapTools and load a project containing the required data (see above)
  2. Navigate to the workspace QUANTI
  3. Select XThermoTools in the add-on menu of XMapTools and press OPEN
  4. You can start using Bingo-Antidote
  5. Open the user guide in the menu, select File >> Help & Documentation

References & citation guidelines

The following publications provide a description of Bingo-Antidote and some application examples:

  • Bingo-Antidote algorithm: Duesterhoeft, E., & Lanari, P. (2020). Iterative thermodynamic modelling – Part 1: A theoretical scoring technique and a computer program (BINGO-ANTIDOTE). Journal of Metamorphic Geology DOI:10.1111/jmg.12538
  • Bingo-Antidote philosophie and first application example: Lanari, P. & Duesterhoeft, E. (2019). Modelling metamorphic rocks using equilibrium thermodynamics and internally consistent databases: past achievements, problems and perspectives. Journal of Petrology, 60, 19-56
  • Local bulk compositions: Lanari, P., & Engi, M. (2017). Local bulk composition effects on metamorphic mineral assemblages, Reviews in Mineralogy and Geochemistry, 83, 55-102

Example: Simulations were performed using an iterative thermodynamic modelling strategy (Lanari & Duesterhoeft 2019) using the software package Bingo-Antidote integrated in XThermoTools 1.1.1 (Duesterhoeft & Lanari 2020), an extension of XMapTools (Lanari et al. 2014; 2019).