Supplementary information for

Structure of Liquid Mercury at High Pressure

James W. E. Drewitt^a, Benedict J. Heinen^b, Elena-Marie Rogmann^b, Oliver T. Lord^b, Francesco Turci^a, Adrian C. Barnes^a, Craig W. Wilson^c, Simon G. Macleod^c, and Annette K. Kleppe^d

^a School of Physics, University of Bristol, H.H. Wills Physics Laboratory, Tyndall Avenue, Bristol, BS8 1TL, United Kingdom
^b School of Earth Sciences, University of Bristol, Wills Memorial Building, Queens Road, Bristol, BS8 1RJ, United Kingdom
^c Atomic Weapons Establishment, Aldermaston, Reading RG7 4PR, United Kingdom
^d Diamond Light Source Ltd, Diamond House, Harwell Science and Innovation Campus, Chilton OX11 0DE, United Kingdom

Published in Physical Review B (2026)
DOI: 10.1103/nffz-z1g8

Jupyter Notebook written by Oliver T. Lord (School of Earth Sciences, University of Bristol)

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Description

This notebook produces Figure 1 of the paper by:

• Processing the experimental data from the in situ SXRD measurements made in an externally heated diamond anvil cell
• Fitting Simon-Glatzel and Kechin melting curve models to the new phase state data as well as to previous data found in the literature

Running the Notebook

Option 1: MyBinder (no installation required)

Click the "launch binder" badge above to run the notebook in your browser.

Option 2: Local Installation

1. Clone the repository:

   git clone https://github.com/olivertlord/Hg-liquid.git
   cd Hg-liquid

2. Create the conda environment:

   conda env create -f environment.yml

3. Activate the environment:

   conda activate hg_melting

4. Launch Jupyter:

   jupyter notebook Hg_melting.ipynb

Required Input Files

The notebook requires the following data files (included in repository):

• Hg_data_summary_input.csv — Experimental mercury data
• literature_data.csv — Literature comparison data
• references.bib — Bibliography in BibTeX format

Output Files

The notebook generates:

• Hg_PT.png — Phase diagram figure
• Hg_data_summary_output.csv — Processed data with calibrated pressures
• Hg_melting.py — Python script version of the notebook (for code checking)

Citation

If you use this notebook in your research, please cite:

Drewitt, J. W. E., Heinen, B. J., Rogmann, E.-M., Lord, O. T., Turci, F., Barnes, A. C., Wilson, C. W., Macleod, S. G., and Kleppe, A. K. Structure of Liquid Mercury at High Pressure, Physical Review B (2026). doi.org/10.1103/nffz-z1g8

License

Copyright © 2026 Oliver Lord

This notebook is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.

This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

You should have received a copy of the GNU General Public License along with this program. If not, see https://www.gnu.org/licenses/.

Dependencies

See environment.yml for a complete list of dependencies.