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Data underlying the research of AIMD simulations on proton conduction mechanism in hydrous olivine

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posted on 02.12.2020, 14:38 authored by Yu HeYu He, Lidong DaiLidong Dai, Duck Young Kim, Heping Li, Shun-ichiro Karato

The AIMD simulations files for different hydrous olivine models with different water content and Fe content.

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4TU.ResearchData

Organizations

Key Laboratory of High-temperature and High-pressure Study of the Earth’s Interior, Institute of Geochemistry, Chinese Academy of Sciences

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Other Earth Sciences

Keywords

DFT, density functional theory AIMD Simulations hydrous olivine asthenosphere conditions Proton Conductivity Ab Initio Molecular Dynamics Simulations (AIMD)

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