I’ve now finished the THERMOCALC section of the website, other than some exceptions listed below. In the last few days I’ve rationalised and completed the documentation for P-T projection and pseudosection calculations. I’ll be moving on to add more about the HPx-eos, which will be relevant to users of THERMOCALC, Perple_X and other software.
Outstanding THERMOCALC-related material:
THERMOCALC 3.50 is still in beta, and currently we don’t trust it to handle several of the less common calculation facilities. I will write more about those when the working software is released.
Simon is still working on his excellent set of tutorials, as well as an app for plotting compatibility diagrams (with some kind help from John!).
Have fun, please report any broken links or glaring omissions.
Linux versions of THERMOCALC and DRAWPD are now available on the respective software pages. Please test and let me know if you have any problems. From now on I will update these along with the Mac and Windows versions.
Corinne Frigo has been visiting Melbourne from ANU. 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. She has some very interesting experimental results on peridotite melting in CMAS + Cr2O3 + K2O at 30 kbar, which contrast nicely with the experiments of Liu & O’Neill (2004) at 11 kbar.
The experiments are giving the x-eos a workout! Currently, the model pyroxenes are taking too much Al2O3 in high-Cr2O3 bulk compositions, meaning that we should revise the Al-Cr partitioning here. Experiments in small systems are extremely useful, providing constraints that can’t be extracted from the natural system data available. Eleanor and Corinne will continue to look at this problem over the next few months, and their new insights will ultimately be incorporated into the next generation of igneous x-eos.
New to phase diagram modelling? Always wanted to know how petrogenetic grids were made but didn’t dare to ask? Worry no more! Here’s the first of a series of tutorials, a simple, step-by-step guide to build your own P-T projection with THERMOCALC!
Do you want to use the HPx-eos in Perple_X? Are you struggling to work out which combination of dataset files, solution models and make/exclusion statements to use? Jeff Moyen has constructed a handy spreadsheet and is kindly sharing it with the community.
Please note, neither Jeff nor I are guaranteeing this information, and correct use of Perple_X is still the user’s responsibility. Do read the notes in the solution_model.dat file!
DRAWPD 1.18 can now be downloaded, including a working Windows version. Did you know that DRAWPD lets you plot coloured and ornamented lines? (as of version 1.16 I believe). An example of this is bundled with the download.
We continue to work on comprehensive .csv output for all THERMOCALC calculation modes, to facilitate more flexible plotting.
Update 8-2-2020: There is now drawpd documentation available at the link above, along with a slightly updated version of DRAWPD 1.18 (small changes to what appears on screen, nothing likely to affect the user).
Many thanks to those users who confirmed that the previous version was now working! Please continue to report any problems.
Luca Ziberna and I are planning to hold a workshop in Trieste, Italy, in the first week of September 2020 (the week before the European Mineralogy Conference in Krakow, 6-10 September).
The workshop will focus on the HPx-eos and their use, with THERMOCALC as our main modelling tool.
At this stage we’d like to hear from the community which might attract more interest:
a workshop with substantial time spent on getting started with THERMOCALC
a more wide-ranging exploration of potential applications for the HPx-eos and phase equilibrium modelling in general – i.e. with more interest for those who don’t want to use THERMOCALC itself, or are already expert users.
If you’d potentially be interested in coming to this workshop, please let us know what sort of content you’d be interested in! You can do this via the poll on the workshop webpage, through the discussion group, or by contacting us directly.
As usual, the development of tc350 is partly driven by our long term plans, and partly in response to problems and requests raised by users. In this case, many of the changes since December’s release are user-driven (this is great – please keep commenting!). They mainly relate to new scripts, making input/output more flexible, and also to the printing of more comprehensive output. The changes are detailed in the release notes bundled with the software download – please do read these carefully!
Looking ahead, Eleanor and John have just been discussing TawnyCALC, one of two upcoming extension packs to THERMOCALC.
TawnyCALC will automate various problems that involve driving THERMOCALC along a path, doing dogmin calculations at each step. Fractionation calculations are an obvious example. We currently plan to have it running online via a Jupyter interface.
The second extension pack, TammaCALC, will allow a set of phase diagram calculations to be made simultaneously and repeatedly. It will facilitate various uncertainty calculations.