Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO2 and HfO2
Abstract Structure and thermodynamics of pure cubic ZrO2 and HfO2 were studied computationally and experimentally from their tetragonal to cubic transition temperatures (2311 and 2530 °C) to their melting points (2710 and 2800 °C). Computations were performed using automated ab initio molecular dyna...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2018-10-01
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| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-018-32848-7 |