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Pressure‐Induced Coordination Changes in a Pyrolitic Silicate Melt From Ab Initio Molecular Dynamics Simulations
With ab initio molecular dynamics simulations on a Na‐, Ca‐, Fe‐, Mg‐, and Al‐bearing silicate melt of pyrolite composition, we examine the detailed changes in elemental coordination as a function of pressure and temperature. We consider the average coordination as well as the proportion and distrib...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6988478/ https://www.ncbi.nlm.nih.gov/pubmed/32025456 http://dx.doi.org/10.1029/2019JB018238 |