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Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO(2) and HfO(2)
Structure and thermodynamics of pure cubic ZrO(2) and HfO(2) 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 dynamics...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6175917/ https://www.ncbi.nlm.nih.gov/pubmed/30297693 http://dx.doi.org/10.1038/s41598-018-32848-7 |