Understanding noble gas incorporation in mantle minerals: an atomistic study

Abstract Ab initio calculations in forsterite (Mg $$_2$$ 2 SiO $$_4$$ 4 ) are used to gain insight into the formation of point defects and incorporation of noble gases. We calculate the enthalpies of incorporation both at pre-existing vacancies in symmetrically non-equivalent sites, and at interstit...

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Bibliographic Details
Main Authors: Alfredo Lora, Paola Patron, Alin M. Elena, Neil L. Allan, Carlos Pinilla
Format: Article
Language:English
Published: Nature Portfolio 2024-06-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-024-61963-x