2024-03-29T06:40:41Z
https://archive.materialscloud.org/xml
oai:materialscloud.org:448
2020-07-17T13:04:07Z
DOI
Grasselli, Federico
Stixrude, Lars
Baroni, Stefano
2020-07-13
The impact of the inner structure and thermal history of planets on their observable features, such as luminosity or magnetic field, crucially depends on the poorly known heat and charge transport properties of their internal layers. The thermal and electric conductivities of different phases of water (liquid, solid, and super-ionic) occurring in the interior of ice giant planets, such as Uranus or Neptune, are evaluated from equilibrium ab initio molecular dynamics, leveraging recent progresses in the theory and data analysis of transport in extended systems. In this record we collect the ab-initio time series of the energy flux and of the electronic and ionic charge fluxes for H2O at different planetary conditions, from which the related transport coefficients are extracted according to the Green-Kubo theory of linear response.
https://archive.materialscloud.org/record/2020.73
doi:10.24435/materialscloud:hn-6f
mcid:2020.73
oai:materialscloud.org:448
en
Materials Cloud
info:eu-repo/semantics/openAccess
Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode
Transport properties
Molecular dynamics
Water at extreme conditions
Planetary evolution models
MaX
Heat and charge transport in H2O at ice-giant conditions from ab initio molecular dynamics simulations
Dataset