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Ab initio Molecular Dynamics Trajectories for Hydrous Silicate Melts (NERC Grant NE/P002951/1)

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data.gov.uk2024-12-22 更新2024-05-31 收录
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https://www.data.gov.uk/dataset/4d90848b-be06-4c9d-918e-f38f4470a4be/ab-initio-molecular-dynamics-trajectories-for-hydrous-silicate-melts-nerc-grant-ne-p002951-1
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资源简介:
Ab initio trajectories for the equilibrated MgO-SiO2-H2O melts at T = 1800 K and 3000 K are provided as "XDATCAR" files output directly from VASP for each simulation interval. Corresponding stress...
提供机构:
British Geological Survey (BGS)
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