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Anisotropic Lattice Vibration, Motion of Atoms, and Local Structure in Pure Zirconia Crystals with Vacancies

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In this study, we performed classical molecular dynamics computer simulations at a constant pressure and temperature for a pure zirconia (ZrO2) crystal containing zirconium vacancies and oxygen vac... Click to show full abstract

In this study, we performed classical molecular dynamics computer simulations at a constant pressure and temperature for a pure zirconia (ZrO2) crystal containing zirconium vacancies and oxygen vac...

Keywords: anisotropic lattice; lattice vibration; vibration motion; pure zirconia; pure

Journal Title: Journal of the Physical Society of Japan
Year Published: 2019

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