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基于从头算分子动力学模拟的冰巨星条件下HO中的热输运与电荷输运

Heat and charge transport in HO at ice-giant conditions from ab initio molecular dynamics simulations.

作者信息

Grasselli Federico, Stixrude Lars, Baroni Stefano

机构信息

SISSA-Scuola Internazionale Superiore di Studi Avanzati, Trieste, Italy.

COSMO - Laboratory of Computational Science and Modelling, IMX, École Polytechnique Fédérale de Lausanne (EPFL), Lausanne, 1015, Switzerland.

出版信息

Nat Commun. 2020 Jul 17;11(1):3605. doi: 10.1038/s41467-020-17275-5.

Abstract

The impact of the inner structure and thermal history of planets on their observable features, such as luminosity or magnetic field, crucially depends on the poorly known heat and charge transport properties of their internal layers. The thermal and electric conductivities of different phases of water (liquid, solid, and super-ionic) occurring in the interior of ice giant planets, such as Uranus or Neptune, are evaluated from equilibrium ab initio molecular dynamics, leveraging recent progresses in the theory and data analysis of transport in extended systems. The implications of our findings on the evolution models of the ice giants are briefly discussed.

摘要

行星的内部结构和热历史对其可观测特征(如光度或磁场)的影响,关键取决于其内部各层鲜为人知的热传输和电荷传输特性。通过从头算平衡分子动力学,利用扩展系统中传输理论和数据分析的最新进展,评估了冰巨星(如天王星或海王星)内部出现的不同水相(液态、固态和超离子态)的热导率和电导率。简要讨论了我们的研究结果对冰巨星演化模型的影响。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e35d/7367872/c903db2c0570/41467_2020_17275_Fig1_HTML.jpg

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