Structure and Properties of Liquid Fe‐C Alloys at High Pressures by Experiments and First‐Principles Calculations

Structure and Properties of Liquid Fe‐C Alloys at High Pressures by Experiments and First‐Principles Calculations
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通过实验和第一性原理计算研究高压液态铁碳合金的结构和性能

DOI:
10.1002/9781119508229.ch4
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发表时间:
2020
期刊:
Geophysical monograph
影响因子:
--
通讯作者:
Wang, J.
Wang, J.
中科院分区:
--
文献类型:
--
作者:
Chen, B.;Wang, J.

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据信,地核的形成过程将地球上大部分的碳隔绝在其金属地核中。在与深部岩浆海洋相关的物理化学条件下,碳与液态铁的结合可能会显著影响其性质,从而影响类地行星和卫星的化学演化。与现有的关于压力下结晶铁合金物理性能的实验数据相比,由于实验的挑战,关于富铁液态合金性能的数据明显缺乏。本文综述了铁或铁镍与碳合金液体压缩后的结构和性能的实验和计算结果。这些实验数据为超高压实验数据的解释和理论数据的验证提供了重要的基础。低压数据可用于验证相同条件下理论计算的结果,高压计算可用于估计和预测岩心条件下的液体性质。铁- C液体性质的可用性将为外核富碳核心组成模型的严格测试提供必要的数据。
It is believed that the core formation processes sequestered a large majority of Earth's carbon into its metallic core. Incorporation of carbon to liquid iron may significantly influence its properties under physicochemical conditions pertinent to the deep magma ocean and thus the chemical evolution of terrestrial planets and moons. Compared to available experimental data on the physical properties of crystalline iron alloys under pressure, there is a remarkable lack of data on the properties of liquid iron‐rich alloys, due to experimental challenges. Here we review experimental and computational results on the structure and properties of iron or iron‐nickel liquids alloyed with carbon upon compression. These laboratory data provide an important foundation on which the interpretation of ultrahigh pressure laboratory data and the verification of theoretical data will have to be based. The low‐pressure data can be used to validate results from theoretical calculations at the same conditions, and high‐pressure calculations can be used to estimate and predict liquid properties under core conditions. Availability of the liquid properties of Fe‐C liquids will provide essential data for stringent tests of carbon‐rich core composition models for the outer core.
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