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Predicted reentrant melting of dense hydrogen at ultra-high pressures

机译:预测超高压下重氢的折返熔化

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The phase diagram of hydrogen is one of the most important challenges in high-pressure physics and astrophysics. Especially, the melting of dense hydrogen is complicated by dimer dissociation, metallization and nuclear quantum effect of protons, which together lead to a cold melting of dense hydrogen when above 500?GPa. Nonetheless, the variation of the melting curve at higher pressures is virtually uncharted. Here we report that using ab initio molecular dynamics and path integral simulations based on density functional theory, a new atomic phase is discovered, which gives an uplifting melting curve of dense hydrogen when beyond 2?TPa, and results in a reentrant solid-liquid transition before entering the Wigner crystalline phase of protons. The findings greatly extend the phase diagram of dense hydrogen, and put metallic hydrogen into the group of alkali metals, with its melting curve closely resembling those of lithium and sodium.
机译:氢的相图是高压物理学和天体物理学中最重要的挑战之一。特别是,质子的二聚解离,金属化和核量子效应使稠密氢的熔化复杂化,当高于500?GPa时,它们一起导致稠密氢的冷熔化。尽管如此,在较高压力下熔融曲线的变化实际上是未知的。在这里我们报告说,使用从头算分子动力学和基于密度泛函理论的路径积分模拟,发现了一个新的原子相,当超过2?TPa时,它给出了致密氢的提升曲线,并导致了折返的固液过渡进入质子的维格纳结晶相之前。这些发现大大扩展了致密氢的相图,并将金属氢归入碱金属类,其熔解曲线与锂和钠的熔解曲线非常相似。

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