Gutenberg Open Science: MAGEMin, an efficient Gibbs energy minimizer : application to igneous systems

Please use this identifier to cite or link to this item: http://doi.org/10.25358/openscience-8126

Full metadata record

DC Field	Value	Language
dc.contributor.author	Riel, Nicolas	-
dc.contributor.author	Kaus, Boris	-
dc.contributor.author	Green, Eleanor	-
dc.contributor.author	Berlie, Nicolas	-
dc.date.accessioned	2022-10-31T08:48:26Z	-
dc.date.available	2022-10-31T08:48:26Z	-
dc.date.issued	2022	-
dc.identifier.uri	https://openscience.ub.uni-mainz.de/handle/20.500.12030/8141	-
dc.description.abstract	Prediction of stable mineral equilibria in the Earth's lithosphere is critical to unravel the tectonomagmatic history of exposed geological sections. While the recent advances in geodynamic modeling allow us to explore the dynamics of magmatic transfer in solid mediums, there is to date no available thermodynamic package that can easily be linked and efficiently be accounted for the computation of phase equilibrium in magmatic systems. Moreover, none of the existing tools fully exploit single point calculation parallelization, which strongly hinders their applicability for direct geodynamic coupling or for thermodynamic database inversions. Here, we present a new Mineral Assemblage Gibbs Energy Minimizer (magemin). The package is written as a parallel C library, provides a direct Julia interface, and is callable from any petrological/geodynamic tool. For a given set of pressure, temperature, and bulk-rock composition magemin uses a combination of linear programming, extended Partitioning Gibbs Energy and gradient-based local minimization to compute the stable mineral assemblage. We apply our new minimization package to the igneous thermodynamic data set of Holland et al. (2018), https://doi.org/10.1093/petrology/egy048 and produce several phase diagrams at supra-solidus conditions. The phase diagrams are then directly benchmarked against thermocalc and exhibit very good agreement. The high scalability of magemin on parallel computing facilities opens new horizons, for example, for modeling reactive magma flow, for thermodynamic data set inversion, and for petrological/geophysical applications.	en_GB
dc.description.sponsorship	Gefördert durch die Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 491381577	de
dc.language.iso	eng	de
dc.rights	CC BY	*
dc.rights.uri	https://creativecommons.org/licenses/by/4.0/	*
dc.subject.ddc	550 Geowissenschaften	de_DE
dc.subject.ddc	550 Earth sciences	en_GB
dc.title	MAGEMin, an efficient Gibbs energy minimizer : application to igneous systems	en_GB
dc.type	Zeitschriftenaufsatz	de
dc.identifier.doi	http://doi.org/10.25358/openscience-8126	-
jgu.type.contenttype	Scientific article	de
jgu.type.dinitype	article	en_GB
jgu.type.version	Published version	de
jgu.type.resource	Text	de
jgu.organisation.department	FB 09 Chemie, Pharmazie u. Geowissensch.	de
jgu.organisation.number	7950	-
jgu.organisation.name	Johannes Gutenberg-Universität Mainz	-
jgu.rights.accessrights	openAccess	-
jgu.journal.title	Geochemistry, geophysics, geosystems	de
jgu.journal.volume	23	de
jgu.journal.issue	7	de
jgu.pages.alternative	e2022GC010427	de
jgu.publisher.year	2022	-
jgu.publisher.name	Wiley	de
jgu.publisher.place	Hoboken, NJ	de
jgu.publisher.issn	1525-2027	de
jgu.organisation.place	Mainz	-
jgu.subject.ddccode	550	de
jgu.publisher.doi	10.1029/2022GC010427	de
jgu.organisation.ror	https://ror.org/023b0x485	-
jgu.subject.dfg	Naturwissenschaften	de
Appears in collections:	DFG-491381577-G

Files in This Item:

	File	Description	Size	Format
	magemin_an_efficient_gibbs_en-20221020162927509.pdf		4.59 MB	Adobe PDF	View/Open

Show simple item record