Green-Kubo MD simulations with MLPs yield up to 119% higher thermal conductivity than phonon quasiparticle methods for seifertite and pyrite-type SiO2, with a 19% reduction at the phase transition that may form an insulating layer in super-Earth mantles.
Christensen, Effects of phase transitions on mantle convection, Annu
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Thermal conductivity of seifertite and pyrite-type SiO$_2$: A comparative study
Green-Kubo MD simulations with MLPs yield up to 119% higher thermal conductivity than phonon quasiparticle methods for seifertite and pyrite-type SiO2, with a 19% reduction at the phase transition that may form an insulating layer in super-Earth mantles.