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