ENabling Knowledge Integration
Model at the speed of thought
Third ENKI user workshop (August 12, 2019)
Group photo from third ENKI user workshop, Breckenridge, Colorado
Equilibrate module (August 3, 2019)
We have much to report, but for now we wanted to alert you that the equilibrate module in Thermoengine has been significantly improved.
The equilibrate module implements a Python interface to the Equilibrate and EquilState classes. It also implements a Python class called MELTSmodel that wraps the objective-C classes (EquilibrateUsingMELTSv102, EquilibrateUsingMELTSv110, EquilibrateUsingMELTSv120, EquilibrateUsingpMELTSv561, EquilibrateUsingMELTSwithDEW, and EquilibrateUsingStixrude).
The Equilibrate class provides methods to calculate an equilibrium phase assemblage given a list of Phase class instances. You can calculate equilibrium in closed thermodynamic systems under a variety of constraints:
You can also calculate equilibrium under constraints of fixed temperature and pressure in open thermodynamic systems by specifying one or more fixed elemental chemical potentials.
For details of the underlying theory and algorithms implemented in the Equilibrate class, see the notebooks in the PublicNotebooks/Equilibrate folder on the ENKI server.
ENKI Server Update (Feb 19, 2017)
The ENKI server is now running JupyterLab with a number of extensions that improve server performance. The server now has better access to the file system, including a public notebook folder, and has direct access to the ENKI-portal resources at GitLab. Jupyter notebooks work as before, but you may notice that some notebook commands are located in a different part of the user interface. For a tour of the interface, see the YouTube video, Intro to the ENKI Server.