Elastic anomalies of anorthite: Molecular dynamics simulations

Fumiya Noritake, Katsuyuki Kawamura, Kyoko N. Matsukage

Research output: Contribution to journalArticle

3 Citations (Scopus)

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 languageEnglish
Pages (from-to)32-41
Number of pages10
JournalPhysics of the Earth and Planetary Interiors
Volume244
DOIs
Publication statusPublished - 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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