论文标题
在高压下稳定的H-C-N-O化合物上
On stable H-C-N-O compounds at high pressure
论文作者
论文摘要
外行星及其许多卫星的构成由H-C-N-O化学空间中的物质主导，通常假定源自氢的混合物和行星ICES H $ _2 $ O，CH $ _4 $和NH $ _3 $。在其内部，这些冰是在海王星地幔核边界处经历极端压力条件，预计它们会经历相变，分解和形成全新化合物。反过来，这决定了行星的室内结构，热历史，磁场的产生等。尽管其重要性，但H-C-N-O空间尚未系统地进行调查。简单地被问到：在高压条件下，在这个空间内出现了什么复合，是什么控制了它们的稳定性？在这里，我们报告了5 MBAR的H-C-N-O化合物之间无偏的晶体结构搜索的结果，以回答这个问题。
The make-up of the outer planets, and many of their moons, are dominated by matter from the H-C-N-O chemical space, commonly assumed to originate from mixtures of hydrogen and the planetary ices H$_2$O, CH$_4$, and NH$_3$. In their interiors, these ices experience extreme pressure conditions, around 5 Mbar at the Neptune mantle-core boundary, and it is expected that they undergo phase transitions, decompose, and form entirely new compounds. In turn, this determines planets' interior structure, thermal history, magnetic field generation, etc. Despite its importance, the H-C-N-O space has not been surveyed systematically. Asked simply: at high-pressure conditions, what compounds emerge within this space, and what governs their stability? Here, we report on results from an unbiased crystal structure search amongst H-C-N-O compounds at 5 Mbar to answer this question.
