Molecular Dynamics (MD) simulation of the elasticity of MgSiO3 perovskite and the temperature anomaly in the lower mantle

Yoshiki Hamahata, Eiji Ohtani, Katsuyuki Kawamura

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

We performed the molecular dynamics simulation of the elastic properties of MgSiO3 perovskite under the lower mantle conditions to estimate the temperature anomalies in the Earth's interior. The simulated P and S wave velocity anomalies corresponding to the temperature anomaly of 500 K are ±1.11% and ±1.13% respectively at the top of the layer, and are ±0.75% and ±0.78% respectively at the core-mantle boundary. Seismologically observed ratios of the P and S wave velocity anomalies R (= ∂lnVs/∂lnVP), due to temperature difference are consistent with the simulated R values, after an anelastic correction, of MgSiO3 perovskite or pyrolite (a mixture of MgO and MgSiO3 perovskite). Both P and S wave velocity anomalies at the top of the lower mantle correspond to the cold temperature anomalies of 120 K for the cold slabs in which MgSiO3 perovskite is dominant. The magnitude of the P wave velocity anomaly observed, after the anelastic correction, at the core-mantle boundary corresponds to about +270 K. The large S wave velocity anomalies at the core-mantle boundary may be accounted for partial melting and/or the chemical heterogeneity due to relatively high iron contents and the temperature anomaly in this region.

Original languageEnglish
Pages (from-to)236-244
Number of pages9
JournalJournal of Mineralogical and Petrological Sciences
Volume95
Issue number8
Publication statusPublished - 2000
Externally publishedYes

Fingerprint

perovskite
lower mantle
temperature anomaly
elasticity
wave velocity
Earth mantle
elastic properties
P-wave
core-mantle boundary
anomalies
S-wave
molecular dynamics
anomaly
simulation
P waves
S waves
temperature
pyrolite
elastic property
partial melting

ASJC Scopus subject areas

  • Geophysics
  • Geology

Cite this

Molecular Dynamics (MD) simulation of the elasticity of MgSiO3 perovskite and the temperature anomaly in the lower mantle. / Hamahata, Yoshiki; Ohtani, Eiji; Kawamura, Katsuyuki.

In: Journal of Mineralogical and Petrological Sciences, Vol. 95, No. 8, 2000, p. 236-244.

Research output: Contribution to journalArticle

@article{46cde291085c45f7bd630bb791dca2f4,
title = "Molecular Dynamics (MD) simulation of the elasticity of MgSiO3 perovskite and the temperature anomaly in the lower mantle",
abstract = "We performed the molecular dynamics simulation of the elastic properties of MgSiO3 perovskite under the lower mantle conditions to estimate the temperature anomalies in the Earth's interior. The simulated P and S wave velocity anomalies corresponding to the temperature anomaly of 500 K are ±1.11{\%} and ±1.13{\%} respectively at the top of the layer, and are ±0.75{\%} and ±0.78{\%} respectively at the core-mantle boundary. Seismologically observed ratios of the P and S wave velocity anomalies R (= ∂lnVs/∂lnVP), due to temperature difference are consistent with the simulated R values, after an anelastic correction, of MgSiO3 perovskite or pyrolite (a mixture of MgO and MgSiO3 perovskite). Both P and S wave velocity anomalies at the top of the lower mantle correspond to the cold temperature anomalies of 120 K for the cold slabs in which MgSiO3 perovskite is dominant. The magnitude of the P wave velocity anomaly observed, after the anelastic correction, at the core-mantle boundary corresponds to about +270 K. The large S wave velocity anomalies at the core-mantle boundary may be accounted for partial melting and/or the chemical heterogeneity due to relatively high iron contents and the temperature anomaly in this region.",
author = "Yoshiki Hamahata and Eiji Ohtani and Katsuyuki Kawamura",
year = "2000",
language = "English",
volume = "95",
pages = "236--244",
journal = "Journal of Mineralogical and Petrological Sciences",
issn = "1345-6296",
publisher = "Tohoku University",
number = "8",

}

TY - JOUR

T1 - Molecular Dynamics (MD) simulation of the elasticity of MgSiO3 perovskite and the temperature anomaly in the lower mantle

AU - Hamahata, Yoshiki

AU - Ohtani, Eiji

AU - Kawamura, Katsuyuki

PY - 2000

Y1 - 2000

N2 - We performed the molecular dynamics simulation of the elastic properties of MgSiO3 perovskite under the lower mantle conditions to estimate the temperature anomalies in the Earth's interior. The simulated P and S wave velocity anomalies corresponding to the temperature anomaly of 500 K are ±1.11% and ±1.13% respectively at the top of the layer, and are ±0.75% and ±0.78% respectively at the core-mantle boundary. Seismologically observed ratios of the P and S wave velocity anomalies R (= ∂lnVs/∂lnVP), due to temperature difference are consistent with the simulated R values, after an anelastic correction, of MgSiO3 perovskite or pyrolite (a mixture of MgO and MgSiO3 perovskite). Both P and S wave velocity anomalies at the top of the lower mantle correspond to the cold temperature anomalies of 120 K for the cold slabs in which MgSiO3 perovskite is dominant. The magnitude of the P wave velocity anomaly observed, after the anelastic correction, at the core-mantle boundary corresponds to about +270 K. The large S wave velocity anomalies at the core-mantle boundary may be accounted for partial melting and/or the chemical heterogeneity due to relatively high iron contents and the temperature anomaly in this region.

AB - We performed the molecular dynamics simulation of the elastic properties of MgSiO3 perovskite under the lower mantle conditions to estimate the temperature anomalies in the Earth's interior. The simulated P and S wave velocity anomalies corresponding to the temperature anomaly of 500 K are ±1.11% and ±1.13% respectively at the top of the layer, and are ±0.75% and ±0.78% respectively at the core-mantle boundary. Seismologically observed ratios of the P and S wave velocity anomalies R (= ∂lnVs/∂lnVP), due to temperature difference are consistent with the simulated R values, after an anelastic correction, of MgSiO3 perovskite or pyrolite (a mixture of MgO and MgSiO3 perovskite). Both P and S wave velocity anomalies at the top of the lower mantle correspond to the cold temperature anomalies of 120 K for the cold slabs in which MgSiO3 perovskite is dominant. The magnitude of the P wave velocity anomaly observed, after the anelastic correction, at the core-mantle boundary corresponds to about +270 K. The large S wave velocity anomalies at the core-mantle boundary may be accounted for partial melting and/or the chemical heterogeneity due to relatively high iron contents and the temperature anomaly in this region.

UR - http://www.scopus.com/inward/record.url?scp=52849119535&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=52849119535&partnerID=8YFLogxK

M3 - Article

VL - 95

SP - 236

EP - 244

JO - Journal of Mineralogical and Petrological Sciences

JF - Journal of Mineralogical and Petrological Sciences

SN - 1345-6296

IS - 8

ER -