TY - DATA
T1 - Data underlying the research of AIMD simulations on proton conduction mechanism in hydrous olivine
PY - 2020/12/02
AU - Yu He
AU - Lidong Dai
AU - Duck Young Kim
AU - Heping Li
AU - Shun-ichiro Karato
UR - https://data.4tu.nl/articles/dataset/Data_underlying_the_research_of_AIMD_simulations_on_proton_conduction_mechanism_in_hydrous_olivine/13250774/1
DO - 10.4121/13250774.v1
KW - DFT, density functional theory
KW - AIMD Simulations
KW - hydrous olivine
KW - asthenosphere conditions
KW - Proton Conductivity
KW - Ab Initio Molecular Dynamics Simulations (AIMD)
N2 - The AIMD simulations files for different hydrous olivine models with different water content and Fe content.
ER -