TY - JOUR
T1 - Elastic anomalies of anorthite
T2 - Molecular dynamics simulations
AU - Noritake, Fumiya
AU - Kawamura, Katsuyuki
AU - Matsukage, Kyoko N.
N1 - Publisher Copyright:
© 2015 Elsevier B.V.
PY - 2015/7/1
Y1 - 2015/7/1
N2 - 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.
AB - 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.
KW - Anorthite
KW - High-pressure
KW - High-temperature
KW - Molecular dynamics
UR - http://www.scopus.com/inward/record.url?scp=84929646323&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84929646323&partnerID=8YFLogxK
U2 - 10.1016/j.pepi.2015.05.002
DO - 10.1016/j.pepi.2015.05.002
M3 - Article
AN - SCOPUS:84929646323
SN - 0031-9201
VL - 244
SP - 32
EP - 41
JO - Physics of the Earth and Planetary Interiors
JF - Physics of the Earth and Planetary Interiors
ER -