Structure and Freezing of MgSiO 3 Liquid in Earth's Lower Mantle-Reference-Cited by-同舟云学术

Structure and Freezing of MgSiO 3 Liquid in Earth's Lower Mantle

Published:2005-10-14 Issue:5746 Volume:310 Page:297-299
ISSN:0036-8075
Container-title:Science
language:en
Short-container-title:Science

Author:

Stixrude Lars¹²,Karki Bijaya¹²

Affiliation:

1. Department of Earth and Planetary Science, University of California, Berkeley, CA 94720, USA.

2. Department of Computer Science, Louisiana State University, Baton Rouge, LA 70803, USA.

Abstract

First-principles molecular-dynamics simulations show that over the pressure regime of Earth's mantle the mean silicon-oxygen coordination number of magnesium metasilicate liquid changes nearly linearly from 4 to 6. The density contrast between liquid and crystal decreases by a factor of nearly 5 over the mantle pressure regime and is 4% at the core-mantle boundary. The ab initio melting curve, obtained by integration of the Clausius-Clapeyron equation, yields a melting temperature at the core-mantle boundary of 5400 ± 600 kelvins.

Publisher

American Association for the Advancement of Science (AAAS)

Subject

Multidisciplinary

Reference41 articles.

1. Spectroscopic Evidence for Pressure-Induced Coordination Changes in Silicate Glasses and Melts

2. M. Matsui, Geophys. Res. Lett.23, 395 (1996).

3. A. B. Belonoshko et al., Phys. Rev. Lett.94, 195701 (2005).

4. We use ultrasoft pseudopotentials ( 30 ) and the Vienna ab initio simulation package code which is efficient and widely tested on silicates and oxides ( 31 ). We compute the electronic structure at the Brillouin zone center and use an energy cutoff of 400 eV: Pulay (finite basis set) corrections to the pressure are found to vary linearly with V from 2 GPa at V = V X to 5 GPa at V = V X /2. To account for the error inherent in the approximation to the exchange-correlation functional we follow previous work ( 32 33 ) by adding a uniform correction of 2 GPa to the pressure in addition to the Pulay correction. The simulations are confined to the Born-Oppenheimer surface and include the influence of finite temperature on the electronic structure through the Mermin functional ( 34 ).

5. S. Nose, J. Chem. Phys.81, 511 (1984).

Cited by 258 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Davemaoite as the mantle mineral with the highest melting temperature;Science Advances;2023-12-08

2. Fivefold‐Coordinated Silicon in MgSiO₃ Melt Accommodates Viscous Flow up to Transition Zone Pressures;Geophysical Research Letters;2023-11-23

3. Elasticity of amorphous calcium carbonate at high pressure and its dependence on the H2O content: A Brillouin scattering study to 20 GPa;Physics of the Earth and Planetary Interiors;2023-03

4. Melting of MgSiO3 determined by machine learning potentials;Physical Review B;2023-02-13

5. Shock-ramp of SiO2 melt;SHOCK COMPRESSION OF CONDENSED MATTER - 2022: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter;2023