MAGEMin, an Efficient Gibbs Energy Minimizer: Application to Igneous Systems

Publication type:
Journal article
Metadata:
Autoren
  • N Riel
  • BJP Kaus
  • ECR Green
  • N Berlie
Autoren-URL
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=fis-test-1&SrcAuth=WosAPI&KeyUT=WOS:000826945700001&DestLinkType=FullRecord&DestApp=WOS_CPL
DOI
10.1029/2022GC010427
eISSN
1525-2027
Externe Identifier
  • Clarivate Analytics Document Solution ID: 3A0GS
Ausgabe der Veröffentlichung
7
Zeitschrift
GEOCHEMISTRY GEOPHYSICS GEOSYSTEMS
Artikelnummer
ARTN e2022GC010427
Datum der Veröffentlichung
2022
Status
Published
Titel
MAGEMin, an Efficient Gibbs Energy Minimizer: Application to Igneous Systems
Sub types
  • Article
Ausgabe der Zeitschrift
23

Data source: Web of Science (Lite)

Other metadata sources:
Abstract
<jats:title>Abstract</jats:title><jats:p>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 (<jats:sc>magem</jats:sc>in). 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 <jats:sc>magem</jats:sc>in 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), <jats:ext-link xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="https://doi.org/10.1093/petrology/egy048">https://doi.org/10.1093/petrology/egy048</jats:ext-link> and produce several phase diagrams at supra‐solidus conditions. The phase diagrams are then directly benchmarked against <jats:sc>thermocalc</jats:sc> and exhibit very good agreement. The high scalability of <jats:sc>magem</jats:sc>in on parallel computing facilities opens new horizons, for example, for modeling reactive magma flow, for thermodynamic data set inversion, and for petrological/geophysical applications.</jats:p>
Autoren
  • N Riel
  • BJP Kaus
  • ECR Green
  • N Berlie
DOI
10.1029/2022gc010427
eISSN
1525-2027
ISSN
1525-2027
Ausgabe der Veröffentlichung
7
Zeitschrift
Geochemistry, Geophysics, Geosystems
Sprache
en
Online publication date
2022
Datum der Veröffentlichung
2022
Status
Published
Herausgeber
American Geophysical Union (AGU)
Herausgeber URL
http://dx.doi.org/10.1029/2022gc010427
Datum der Datenerfassung
2023
Titel
MAGEMin, an Efficient Gibbs Energy Minimizer: Application to Igneous Systems
Ausgabe der Zeitschrift
23

Data source: Crossref

Author's licence
CC-BY
Autoren
  • Nicolas Riel
  • Boris Kaus
  • Eleanor Green
  • Nicolas Berlie
Hosting institution
Universitätsbibliothek Mainz
Sammlungen
  • DFG-491381577-G
Resource version
Published version
DOI
10.1029/2022GC010427
Funding acknowledgements
  • Gefördert durch die Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 491381577
File(s) embargoed
false
Open access
true
ISSN
1525-2027
Ausgabe der Veröffentlichung
7
Zeitschrift
Geochemistry, geophysics, geosystems
Schlüsselwörter
  • 550 Geowissenschaften
  • 550 Earth sciences
Sprache
eng
Open access status
Open Access
Paginierung
e2022GC010427
Datum der Veröffentlichung
2022
Public URL
https://openscience.ub.uni-mainz.de/handle/20.500.12030/8141
Herausgeber
Wiley
Datum der Datenerfassung
2022
Datum, an dem der Datensatz öffentlich gemacht wurde
2022
Zugang
Public
Titel
MAGEMin, an efficient Gibbs energy minimizer : application to igneous systems
Ausgabe der Zeitschrift
23

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magemin_an_efficient_gibbs_en-20221020162927509.pdf

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