Information, downloads and news for users and developers
Author: Eleanor C R Green
Eleanor leads the development of the HPx-eos (compositionally-dependent equations of state based on the Holland & Powell dataset), and the associated phase equilibrium calculation software THERMOCALC. She runs the hpxeosandthermocalc site and discussion group. Find out more about Eleanor and the international team of geoscientists behind the HPx-eos at
https://hpxeosandthermocalc.org/development-team/
Eleanor is in Barcelona at the pre-Goldschmidt ENKI workshop, run by Mark Ghiorso and Aaron Wolf. ENKI is intended to provide an environment in which thermodynamic datasets and a-x relations can be developed and used in exceedingly flexible ways. So far it seems very promising – an admirable community software project! We will aim to implement the HPx-eos within ENKI.
We’re delighted to welcome John Mansour onto the development team. John is a programmer who has worked extensively on the Underworld geodynamics code. He will be helping us with (i) facilitating open-system calculations in THERMOCALC, and (ii) working towards the integration of phase equilibrium calculations with Underworld.
Eleanor has been at the Australian National University in Canberra visiting Corinne Frigo. Corinne has recently begun a complex program of experiments on the generation of basalt-analogue melts in the CMAS±Cr system. The new igneous set of HPx-eos do not agree too well with Corinne’s initial experiments. This is not really a surprise at this stage, but we have some work to do before we can understand what is wrong.
Corinne is working with Hugh O’Neill, Richard Arculus and Eleanor on ARC Discovery Project DP170100982, A new perspective on melting in the Earth and the origin of basalts. In this project we have the opportunity for close interaction between the experimental program and the internally-consistent modelling work. Enlightening and fun! Corinne will present some of this work at Goldschmidt on 21st August.
We hope soon to introduce THERMOCALC-powered open-system modelling facilities, based as always on the phase relations encapsulated in the HPx-eos. These facilities will be standalone, but will also link into the Underworld geodynamic modelling toolkit.
Eleanor is trying to wrap her brain around how to handle chemically-open systems in solid-Earth geoscience as a fully general problem, and bridge the communication gap with her colleagues in software development and geodynamics. More news later this week…
The general structure for the website is now in place, but there is nothing to download yet, other than Luca’s excellent avPy package for olivine-bearing igneous rocks.
One reason for the delay is that THERMOCALC is evolving very fast at present, and we are waiting for a stable version with some new features completed. This will involve some intensive RP-Eleanor discussions after RP gets back from Europe. Late July might be a good estimate for completing the THERMOCALC section.
Richard and RP are working on osumilite thermodynamics in St Andrews, supervised by a large herring gull called Alfred (or are there several Alfreds? hard to tell).
Photo: Osumilite (by Fred Kruijen via Wikimedia Commons)
Now that the semester is over, Eleanor is writing a lot:
the website
the transparency paper: clarifying some aspects of the modelling that have been left unclear after recent developments
the “uncertainties” paper – really about sensitivity as much as uncertainty: looking at what we can say about uncertainties in the modelling, and contrasting it with what we’d like to say.