Phase transition in MgSiO3 perovskite in the earth's lower mantle

被引：414

作者：

Tsuchiya, T ^{[1
]}

Tsuchiya, J ^{[1
]}

Umemoto, K ^{[1
]}

Wentzcovitch, RA ^{[1
]}

机构：

[1] Univ Minnesota, Dept Chem Engn & Mat Sci, Minnesota Supercomp Inst Digital Technol & Adv Co, Minneapolis, MN 55455 USA

来源：

EARTH AND PLANETARY SCIENCE LETTERS | 2004年 / 224卷 / 3-4期

基金：

日本学术振兴会; 美国国家科学基金会;

关键词：

post-perovskite; MgSiO3; first principle; core-mantle boundary; D '' layer;

D O I：

10.1016/j.epsl.2004.05.017

中图分类号：

P3 [地球物理学]; P59 [地球化学];

学科分类号：

0708 ; 070902 ;

摘要：

A new polymorph of MgSiO3 more stable than the Pbnm-perovskite phase has been identified by first-principles computations. It has the CaIrO3 structure with Cmcm symmetry and consists of SiO3 layers intercalated by eightfold-coordinated Mg ions. High-temperature calculations within the quasiharmonic approximation give a volume change of similar to 1.5% and a Clapeyron slope of similar to 7.5 +/- 0.3 MPa/K at similar to 2750 K and similar to 125 GPa. These pressure-temperature (P-T) conditions are close to those in which a phase transition in MgSiO3-perovskite has been observed by in situ angle dispersive X-ray diffraction measurements. This transition appears to be associated with the W discontinuity. (C) 2004 Elsevier B.V All rights reserved.

引用

页码：241 / 248

页数：8

共 50 条

[31] Modeling the melting of multicomponent systems: the case of MgSiO3 perovskite under lower mantle conditions
Di Paola, Cono
Brodholt, John P.
SCIENTIFIC REPORTS, 2016, 6
[32] Thermoelastic properties and crystal structure of MgSiO3 perovskite at lower mantle pressure and temperature conditions
Fiquet, G
Dewaele, A
Andrault, D
Kunz, M
Le Bihan, T
GEOPHYSICAL RESEARCH LETTERS, 2000, 27 (01) : 21 - 24
[33] ELECTRICAL-CONDUCTIVITY OF THE LOWER MANTLE - A MOLECULAR-DYNAMICS SIMULATION OF MGSIO3 PEROVSKITE
WALL, A
PRICE, GD
PHYSICS OF THE EARTH AND PLANETARY INTERIORS, 1989, 58 (2-3) : 192 - 204
[34] Modeling the melting of multicomponent systems: the case of MgSiO3 perovskite under lower mantle conditions
Cono Di Paola
John P. Brodholt
Scientific Reports, 6
[35] Equation of state of MgSiO3 perovskite and its thermoelastic properties under lower mantle conditions
Hama, J
Suito, K
JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH, 1998, 103 (B4) : 7443 - 7462
[36] Anisotropy of Earth's D″ layer and stacking faults in the MgSiO3 post-perovskite phase
Artem R. Oganov
Roman Martoňák
Alessandro Laio
Paolo Raiteri
Michele Parrinello
Nature, 2005, 438 : 1142 - 1144
[37] TWINNING IN MGSIO3 PEROVSKITE
WANG, YB
GUYOT, F
YEGANEHHAERI, A
LIEBERMANN, RC
SCIENCE, 1990, 248 (4954) : 468 - 471
[38] Anisotropy of Earth's D" layer and stacking faults in the MgSiO3 post-perovskite phase
Oganov, AR
Martonák, R
Laio, A
Raiteri, P
Parrinello, M
NATURE, 2005, 438 (7071) : 1142 - 1144
[39] Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D" layer
Oganov, AR
Ono, S
NATURE, 2004, 430 (6998) : 445 - 448
[40] Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D″ layer
Artem R. Oganov
Shigeaki Ono
Nature, 2004, 430 : 445 - 448

← 1 2 3 4 5 →