Thermoelastic properties of bridgmanite using Deep Potential Molecular Dynamics

MgSiO_3-perovskite (MgPv) plays a crucial role in the Earth's lower mantle. This study combines deep-learning potential (DP) with density functional theory (DFT) to investigate the structural and elastic properties of MgPv under lower mantle conditions. To simulate complex systems, we developed...

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Hauptverfasser: Wan, Tianqi, Luo, Chenxing, Sun, Yang, Wentzcovitch, Renata M
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Sprache:eng
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