The doi above is for this specific version of this dataset, which is currently the latest. Newer versions may be published in the future. For a link that will always point to the latest version, please use
doi: 10.4121/13250774

He, Yu; Lidong Dai; Kim, Duck Young; Li, Heping; Shun-ichiro Karato (2020): Data underlying the research of AIMD simulations on proton conduction mechanism in hydrous olivine. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/13250774.v1

Dataset

• Other Earth Sciences

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

CC BY 4.0

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by Yu He , Lidong 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.

• 2020-12-02 first online, published, posted

4TU.ResearchData

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