MAGEMin stands for “Mineral Assemblage Gibbs Energy Minimisation” and provides a set of open source tools for calculating stable phase equilibria at a given pressure, temperature and composition. MAGEMin is developed by Dr Nicolas Riel of the Johannes Gutenberg University Mainz, Germany.

You can learn how to use MAGEMin during the Granulites & Granulites 2024 conference by registering for the mid-conference workshop when registering for the conference.

Programme

During the workshop you will first learn how to install and use MAGEMinApp to:

1. Generate Pressure-Temperature iso-chemical phase diagrams (PT), and Pressure or Temperature or Pressure-Temperate path versus variable composition phase diagrams (PX, TX, PT-X).
2. Setup initial grid resolution and iteratively increase refinement of the computed diagrams.
3. Change and adjust colormap, add iso-contours and export vector format figures.
4. Export single point information and full diagram information to files.
5. Compute Pressure Temperature paths, including fractional melting and crystallization paths.

In a second stage you will learn how to install MAGEMin_C and apply it to targeted stable phase equilibrium computation. Several example of applications will be introduced:

1. Single point and multipoint minimizations using available database.
2. Extraction and visualization of stable phase prediction outputs.
3. Isentropic batch melting path applied to KLB-1 peridotite.

MAGEMin

The MAGEMin framework is built around the MPI-parallel C code which is best used using the Julia interface MAGEMin_C and the Julia app MAGEMinApp.

While MAGEMin accounts for one-to-one implementation of several of the most popular thermocalc thermodynamic database (metapelite, metabasite, igneous and ultramafic), additional databases from other groups are in the process of being added e.g. the thermodynamic database of the mantle from Stixrude & Lithgrow-Bertelloni (2010).

MAGEMin_C is the Julia interface to MAGEMin and allow to easily compute custom sets of stable phase equilibria in serial and in parallel. The strength of the MAGEMin_C lie in its easy installation and use across a wide range of operating systems (Windows, Mac and Linux).

MAGEMinApp is the web-browser Julia app built around MAGEMin_C which allow the user to generate a wide variety of phase diagrams including PT, TX, PX and PT-X phase diagrams. The 2D phase diagrams are computed using adaptive mesh refinement and labelling of the phase fields is done automatically. Additional options such as iso-contouring of any field and/or phase composition, calculation of fractional melting/crystallization paths, vector format figure export and full data export to table are also available.

Resources

Links:

• https://julialang.org/downloads/
• https://github.com/ComputationalThermodynamics
• https://computationalthermodynamics.github.io/MAGEMin/index.html

Trying the app:

• https://github.com/ComputationalThermodynamics/MAGEMinApp.jl

Reference:

• https://agupubs.onlinelibrary.wiley.com/doi/10.1029/2022GC010427