Structural, vibrational and transport properties of liquid and amorphous alumina: A molecular dynamics simulation study
Structural, vibrational and transport properties of liquid alumina at 2500 K and amorphous alumina at 300 K were studied by molecular dynamics simulations using an empirical Born-Mayer-Huggins potential with the recently optimized parameters. The investigations were conducted for the predicted densi...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2022-09-01
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| Series: | Frontiers in Materials |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/articles/10.3389/fmats.2022.1005747/full |