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Carbon and other light element contents in the Earth’s core based on first-principles molecular dynamics

机译:基于第一性原理分子动力学的地球核心中的碳和其他轻元素含量

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摘要

Carbon (C) is one of the candidate light elements proposed to account for the density deficit of the Earth’s core. In addition, C significantly affects siderophile and chalcophile element partitioning between metal and silicate and thus the distribution of these elements in the Earth’s core and mantle. Derivation of the accretion and core–mantle segregation history of the Earth requires, therefore, an accurate knowledge of the C abundance in the Earth’s core. Previous estimates of the C content of the core differ by a factor of ∼20 due to differences in assumptions and methods, and because the metal–silicate partition coefficient of C was previously unknown. Here we use two-phase first-principles molecular dynamics to derive this partition coefficient of C between liquid iron and silicate melt. We calculate a value of 9 ± 3 at 3,200 K and 40 GPa. Using this partition coefficient and the most recent estimates of bulk Earth or mantle C contents, we infer that the Earth’s core contains 0.1–0.7 wt% of C. Carbon thus plays a moderate role in the density deficit of the core and in the distribution of siderophile and chalcophile elements during core–mantle segregation processes. The partition coefficients of nitrogen (N), hydrogen, helium, phosphorus, magnesium, oxygen, and silicon are also inferred and found to be in close agreement with experiments and other geochemical constraints. Contents of these elements in the core derived from applying these partition coefficients match those derived by using the cosmochemical volatility curve and geochemical mass balance arguments. N is an exception, indicating its retention in a mantle phase instead of in the core.
机译:碳(C)是提议用来解决地球核心密度不足的一种候选轻元素。此外,C会显着影响金属和硅酸盐之间的嗜铁元素和嗜硫元素的分配,从而影响这些元素在地球核心和地幔中的分布。因此,要推导地球的吸积和核幔分离历史,就需要准确了解地球核心中的C丰度。由于假设和方法的差异,以及先前未知的C的金属-硅酸盐分配系数,以前对芯中C含量的估计相差约20倍。在这里,我们使用两相第一性原理分子动力学来得出C在液态铁和硅酸盐熔体之间的分配系数。我们在3200 K和40 GPa下计算出9±3的值。利用该分配系数和对地球或地幔中C含量的最新估计,我们推断出地球的核心包含0.1-0.7 wt%的C。因此,碳在核心的密度不足和碳的分布中起中等作用。核心-幔分离过程中的嗜铁和嗜硫元素。还可以推断出氮,氢,氦,磷,镁,氧和硅的分配系数,发现与实验和其他地球化学约束条件密切相关。通过应用这些分配系数得出的岩心中这些元素的含量与使用宇宙化学挥发性曲线和地球化学质量平衡参数得出的那些含量相匹配。 N是一个例外,表示其保留在地幔阶段而不是核心。

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