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Reactions of xenon with iron and nickel are predicted in the Earth's inner core

机译:氙与铁和镍的反应在地球的内核中被预测

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Studies of the Earth's atmosphere have shown that more than 90% of the expected amount of Xe is depleted, a finding often referred to as the 'missing Xe paradox'. Although several models for a Xe reservoir have been proposed, whether the missing Xe could be contained in the Earth's inner core has not yet been answered. The key to addressing this issue lies in the reactivity of Xe with Fe/Ni, the main constituents of the Earth's core. Here, we predict, through first-principles calculations and unbiased structure searching techniques, a chemical reaction of Xe with Fe/Ni at the temperatures and pressures found in the Earth's core. We find that, under these conditions, Xe and Fe/Ni can form intermetallic compounds, of which XeFe3 and XeNi3 are energetically the most stable. This shows that the Earth's inner core is a natural reservoir for Xe storage and provides a solution to the missing Xe paradox.
机译:对地球大气层的研究表明,预期的Xe量已消耗了90%以上,这一发现通常被称为“缺失的Xe悖论”。尽管已经提出了Xe储层的几种模型,但是尚未回答缺少的Xe是否可以包含在地球的内核中。解决此问题的关键在于Xe与铁/镍(地球核心的主要成分)的反应性。在这里,我们通过第一性原理计算和无偏结构搜索技术来预测Xe与Fe / Ni在地球核心发现的温度和压力下的化学反应。我们发现,在这些条件下,Xe和Fe / Ni可以形成金属间化合物,其中XeFe3和XeNi3在能量上最稳定。这表明地球的内核是Xe储存的天然储层,并为缺失的Xe悖论提供了解决方案。

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