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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...
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| Publicado no: | J Geophys Res Solid Earth |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
John Wiley and Sons Inc.
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6988478/ https://ncbi.nlm.nih.gov/pubmed/32025456 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1029/2019JB018238 |
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