Abstract
We investigated the elastic anomalies of anorthite using molecular dynamics simulations in which the temperature and pressure induced P1-/I1- phase transitions were reproduced. The resulting changes in structure were investigated as functions of pressure and temperature. It was found that the temperature-induced elastic anomaly is caused by two different thermal expansion behaviors of atomic motion, that is, increased distance between nearest neighbor atoms and increased Si-O-Al angle. Furthermore, the pressure-induced elastic anomaly was found to be caused by a decrease in the Si-O-Al angle in six-membered rings, which is similar to the cases of vitreous silica or acidic silicate liquids.
| Original language | English |
|---|---|
| Pages (from-to) | 32-41 |
| Number of pages | 10 |
| Journal | Physics of the Earth and Planetary Interiors |
| Volume | 244 |
| DOIs | |
| Publication status | Published - Jul 1 2015 |
Keywords
- Anorthite
- High-pressure
- High-temperature
- Molecular dynamics
ASJC Scopus subject areas
- Astronomy and Astrophysics
- Geophysics
- Physics and Astronomy (miscellaneous)
- Space and Planetary Science
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Noritake, F., Kawamura, K., & Matsukage, K. N. (2015). Elastic anomalies of anorthite: Molecular dynamics simulations. Physics of the Earth and Planetary Interiors, 244, 32-41. https://doi.org/10.1016/j.pepi.2015.05.002