Dataset Information

Cerantola, Valerio; ORCID: 0000-0002-2808-2963
Sahle, Christoph J
Petitgirard, Sylvain
Wu, Min
Checchia, Stefano
Weis, Christopher
Di Michiel, Marco
Vaughan, Gavin B M
Collings, Ines E
Arató, Róbert
Wilke, Max
Jones, Adrian P
Hanfland, Michael
Tse, John

Simulated X-ray Raman Scattering (XRS) data from MD simulations as described in the manuscript "sp2 to sp3 transition in carbonate glass: Implications for primordial carbon storage in the deep Earth" published in the journal Communications Earth and Environment. Code, principles and assumptions used in the simulations are described in detail in the Method session of the manuscript.

Cerantola, V., Sahle, C. J., Petitgirard, S., Wu, M., Checchia, S., Weis, C., Di Michiel, M., Vaughan, G. B. M., Collings, I. E., Arató, R., Wilke, M., Jones, A. P., Hanfland, M., Tse, J., 2023. Simulated Oxygen K-edges of carbonate glass at high pressures, Version 1.0. Interdisciplinary Earth Data Alliance (IEDA). https://doi.org/10.26022/IEDA/112761. Accessed 2024-09-18.

2023-01-24

Creative Commons Attribution 4.0 International [CC-BY-4.0]

Coverage Scope: Space/Planetary

carbonate glass, high pressure, MD simulations, theory, mineral physics, phase transition, electronic transition

2023-07-17

Dataset