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高达153吉帕斯卡压力下铁的声子态密度

Phonon density of states of iron up to 153 gigapascals.

作者信息

Mao H K, Xu J, Struzhkin V V, Shu J, Hemley R J, Sturhahn W, Hu M Y, Alp E E, Vocadlo L, Alfè D, Price G D, Gillan M J, Schwoerer-Böhning M, Häusermann D, Eng P, Shen G, Giefers H, Lübbers R, Wortmann G

机构信息

Geophysical Laboratory and Center for High Pressure Research, Carnegie Institution of Washington, Washington, DC 20015, USA.

出版信息

Science. 2001 May 4;292(5518):914-6. doi: 10.1126/science.1057670.

Abstract

We report phonon densities of states (DOS) of iron measured by nuclear resonant inelastic x-ray scattering to 153 gigapascals and calculated from ab initio theory. Qualitatively, they are in agreement, but the theory predicts density at higher energies. From the DOS, we derive elastic and thermodynamic parameters of iron, including shear modulus, compressional and shear velocities, heat capacity, entropy, kinetic energy, zero-point energy, and Debye temperature. In comparison to the compressional and shear velocities from the preliminary reference Earth model (PREM) seismic model, our results suggest that Earth's inner core has a mean atomic number equal to or higher than pure iron, which is consistent with an iron-nickel alloy.

摘要

我们报告了通过核共振非弹性X射线散射测量至153吉帕斯卡并由从头算理论计算得出的铁的声子态密度(DOS)。定性地说,它们是一致的,但理论预测在更高能量处的密度。从声子态密度中,我们推导出了铁的弹性和热力学参数,包括剪切模量、纵波和剪切波速度、热容量、熵、动能、零点能和德拜温度。与初步参考地球模型(PREM)地震模型中的纵波和剪切波速度相比,我们的结果表明地球内核的平均原子序数等于或高于纯铁,这与铁镍合金一致。

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