@article {https://doi.org/10.1029/2019GL082722,
	title = {Ab Initio Molecular Dynamics Investigation of Molten Fe{\textendash}Si{\textendash}O in Earth{\textquoteright}s Core},
	journal = {Geophysical Research Letters},
	volume = {46},
	number = {12},
	year = {2019},
	pages = {6397-6405},
	abstract = {Abstract Silicon and oxygen are potential light elements in Earth\&$\#$039;s core because their stronger affinity to metal observed with increasing temperature posits that significant amounts of both can be incorporated into the core. It was proposed that an Fe{\textendash}Si{\textendash}O liquid alloy could expel SiO2 at the core-mantle boundary during secular cooling, leaving the core with either silicon or oxygen, not both. This was recently challenged in a study showing no exsolution but immiscibility in the Fe{\textendash}Si{\textendash}O system. Here we investigate the liquidus field of Fe{\textendash}Si and Fe{\textendash}O binaries and Fe{\textendash}Si{\textendash}O ternaries at core-mantle boundary pressures and temperatures using ab initio molecular dynamics. We find that the liquids remain well mixed with ternary properties identical to mixing of binary properties. Two-phase simulations of solid SiO2 and liquid Fe show dissolution at temperatures above 4100 K, suggesting that SiO2 crystallization as well as liquid immiscibility in Fe{\textendash}Si{\textendash}O is unlikely to occur in Earth\&$\#$039;s core.},
	doi = {https://doi.org/10.1029/2019GL082722},
	url = {https://agupubs.onlinelibrary.wiley.com/doi/abs/10.1029/2019GL082722},
	author = {Huang, Dongyang and Badro, James and Brodholt, John and Li, Yunguo}
}
