The melting curve of CaSiO3 perovskite under lower mantle pressures

被引：9

作者：

Liu, Zi-Jiang ^{[1
,2
]}

Yan, Jun ^{[1
]}

Duan, Su-Qing ^{[1
]}

Sun, Xiao-Wei ^{[3
]}

Zhang, Cai-Rong ^{[4
]}

Guo, Yuan ^{[2
,3
]}

机构：

[1] Inst Appl Phys & Computat Math, Natl Key Lab Computat Phys, Beijing 100088, Peoples R China

[2] Lanzhou City Univ, Dept Phys, Lanzhou 730070, Peoples R China

[3] Lanzhou Jiaotong Univ, Sch Math & Phys, Lanzhou 730070, Peoples R China

[4] Lanzhou Univ Technol, Dept Appl Phys, Lanzhou 730050, Peoples R China

来源：

SOLID STATE COMMUNICATIONS | 2010年 / 150卷 / 13-14期

基金：

中国国家自然科学基金;

关键词：

CaSiO3; perovskite; Melting curve; High pressure; EQUATION-OF-STATE; MOLECULAR-DYNAMICS; PHASE-RELATIONS; EARTHS CORE; AB-INITIO; TEMPERATURES; ELASTICITY; STABILITY; PETROLOGY; MINERALS;

D O I：

10.1016/j.ssc.2009.12.038

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The high pressure melting curve of CaSiO3 perovskite is simulated by using the constant temperature and pressure molecular dynamics method combined with effective pair potentials for the first time. The simulated results for the partial radial distribution function all compare well with experiment. The calculated equation of state is very successful in accurately reproducing the recent experimental data over a wide pressure range. The predicted high pressure melting curve is in good agreement with the experimental ones, and the melting curve up to the core-mantle boundary pressure, being very steep at lower pressures, rapidly flattens on increasing pressure. The present results also suggest the validity of the experimental data of Zerr and Boehler. (C) 2010 Elsevier Ltd. All rights reserved.

引用

页码：590 / 593

页数：4

共 48 条

[1] New insights into the melting behavior of MgO from molecular dynamics simulations: The importance of premelting effects [J].

Aguado, A ;

Madden, PA .

PHYSICAL REVIEW LETTERS, 2005, 94 (06)

[2] Melting curve of MgO from first-principles simulations -: art. no. 235701 [J].

Alfè, D .

PHYSICAL REVIEW LETTERS, 2005, 94 (23)

[3]

Allen M.P., 1997, COMPUTER SIMULATION

[4]

Anderson DL., 1989, Theory of the Earth

[5]

[Anonymous], MAT SCI EARTH INTERI

[6]

[Anonymous], J PHYS SOC JAPAN

[7] High-pressure melting of MgSiO3 -: art. no. 195701 [J].

Belonoshko, AB ;

Skorodumova, NV ;

Rosengren, A ;

Ahuja, R ;

Johansson, B ;

Burakovsky, L ;

Preston, DL .

PHYSICAL REVIEW LETTERS, 2005, 94 (19)

[8] High-pressure melting of molybdenum [J].

Belonoshko, AB ;

Simak, SI ;

Kochetov, AE ;

Johansson, B ;

Burakovsky, L ;

Preston, DL .

PHYSICAL REVIEW LETTERS, 2004, 92 (19) :195701-1

[9] Molecular dynamics of LiF melting [J].

Belonoshko, AB ;

Ahuja, R ;

Johansson, B .

PHYSICAL REVIEW B, 2000, 61 (18) :11928-11935

[10] Stability of the body-centred-cubic phase of iron in the Earth's inner core [J].

Belonoshko, AB ;

Ahuja, R ;

Johansson, B .

NATURE, 2003, 424 (6952) :1032-1034

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