Two phase diagrams calculated by (a) Perple_X and (b) the new MAGEMin software.
Comparison of phase diagrams calculated by (a) Perple_X and (b) the new MAGEMin software. The predictions are nearly identical and the refinement of the grids is similar, but the MAGEMin calculation took 4 minutes whereas Perple_X required 78 minutes for the same task. Credit: Riel et al. [2022], Figure 8
Editors’ Highlights are summaries of recent papers by AGU’s journal editors.
Source: Geochemistry, Geophysics, Geosystems

In a new technical brief, Riel et al. [2022] announce and demonstrate MAGEMin, a new software package for the calculation of thermodynamic phase equilibria in multiphase, multicomponent chemical systems. The software is well-suited to calculating phase diagrams and to embedding within large-scale geodynamic calculations that require repeated assessment of phase properties to track density, melt fraction, and other dynamical variables.

It is well-known that the equilibrium state of a system can be predicted by finding the configuration that minimizes thermodynamic potential functions such as Gibbs energy, but the number of coexisting minerals and the complexity of the mineral and liquid solution models that arise in Earth science make this a computationally challenging task. Indeed, the slow and unreliable convergence of previous algorithms have often been the limiting factor in integrating thermodynamic and geodynamic models. MAGEMin is designed to address this limitation, and its parallel architecture makes it much more efficient than competing software packages. 

Citation: Riel, N., Kaus, B. J. P., Green, E. C. R., & Berlie, N. (2022). MAGEMin, an efficient Gibbs energy minimizer: Application to igneous systems. Geochemistry, Geophysics, Geosystems, 23, e2022GC010427.

—Paul Asimow, Editor, Geochemistry, Geophysics, Geosystems

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