Work

ThermoCodegen: a python/C++ package for the generation of custom thermodynamic models

Year: 2023

Type: article

Abstract: Many important problems in solid-Earth science require a consistent coupling between thermodynamics and geodynamics.Examples include global mantle convection with thermodynamically consistent phase changes, the generation and flow of magma in the mantle, reactive fluid flow and geological carbon sequestration in the crust and even the coupled flow of water and ice in glaciers and ice sheets.Given the complexity of these systems, it is important that the individual user/scientist have considerable control over the formulation and computational choices involved for both the thermodynamic and geodynamic components of models while maintaining transparency and reproducibility.Access to flexible open-source software for the creation and exploration of thermodynamic models and their incorporation into large scale reactive flow simulations is essential for these endeavors. * co-first author

Source: The Journal of Open Source Software

DOI: 10.21105/joss.04874

Authors: Marc Spiegelman, Owen Evans, Mark Ghiorso, Lucy Tweed, Cian Wilson

Institutions: Columbia University, OFM Research (United States), Carnegie Institution for Science, Earth and Planets Laboratory

Language: English

Topic: High-pressure geophysics and materials

Subfield: Geophysics

Field: Earth and Planetary Sciences

Domain: Physical Sciences

Open Access status: diamond

Funders: National Science Foundation, Alfred P. Sloan Foundation

Awards: Petrologic Study of Peridotite Carbonation in Oman: Temperature, Timing and Fluid Composition, A Combined Experimental and Theoretical investigation of reactive flow in brittle media with applications to solid Earth geodynamics, SI2-SSI: Collaborative Research: ENKI: Software infrastructure that ENables Knowledge Integration for Modeling Coupled Geochemical and Geodynamical Processes