Ab initio equation of state of iron up to 1500 GPa

被引：103

作者：

Bouchet, J. ^{[1
,2
]}

Mazevet, S. ^{[1
,2
]}

Morard, G. ^{[3
,4
]}

Guyot, F. ^{[3
,4
]}

Musella, R. ^{[2
]}

机构：

[1] CEA, DAM, DIF, F-91297 Arpajon, France

[2] Univ Paris Diderot, CNRS, Observ Paris, LUTH UMR 8102, F-92195 Meudon, France

[3] Inst Mineral & Phys Milieux Condenses, UMR 75 90, F-75015 Paris, France

[4] Inst Phys Globe, F-75252 Paris, France

来源：

PHYSICAL REVIEW B | 2013年 / 87卷 / 09期

关键词：

EARTHS INNER-CORE; MASS-RADIUS RELATIONSHIPS; CENTERED-CUBIC IRON; HIGH-PRESSURES; TERRESTRIAL PLANETS; DYNAMICAL STABILITY; PHASE-TRANSITIONS; CRYSTAL-STRUCTURE; TEMPERATURES; ELASTICITY;

D O I：

10.1103/PhysRevB.87.094102

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Using ab initio molecular dynamics simulations, we calculate the equation of state of iron in the solid phase for both the hcp and bcc structures as well as the high-pressure melting curve up to 15 Mbars. We first find that the melting temperature increases up to 11 000 K at the highest pressures investigated following a semiempirical melting law over the entire pressure domain. We also investigate the stability of the bcc phase of iron beyond Earth's core conditions (3 Mbars) and find that the temperature at which the bcc phase is mechanically stabilized increases with density. Finally, we provide simple fits of these results for convenient use in the modeling of Earth-like exoplanets up to ten Earth masses, which requires accurate knowledge of the properties of iron up to 15 Mbars. DOI: 10.1103/PhysRevB.87.094102

引用

页数：8

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