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Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material
Highly anharmonic thermal vibrations may serve as a source of structural instabilities resulting in phase transitions, chemical reactions and even the mechanical disintegration of a material. Ab initio calculations model thermal motion within a harmonic or sometimes quasi-harmonic approximation and...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9254589/ https://www.ncbi.nlm.nih.gov/pubmed/35695111 http://dx.doi.org/10.1107/S2052520622002700 |