Literature DB >> 23807128

Quantum simulation of low-temperature metallic liquid hydrogen.

Ji Chen1, Xin-Zheng Li, Qianfan Zhang, Matthew I J Probert, Chris J Pickard, Richard J Needs, Angelos Michaelides, Enge Wang.   

Abstract

The melting temperature of solid hydrogen drops with pressure above ~65 GPa, suggesting that a liquid state might exist at low temperatures. It has also been suggested that this low-temperature liquid state might be non-molecular and metallic, although evidence for such behaviour is lacking. Here we report results for hydrogen at high pressures using ab initio methods, which include a description of the quantum motion of the protons. We determine the melting temperature as a function of pressure and find an atomic solid phase from 500 to 800 GPa, which melts at <200 K. Beyond this and up to 1,200 GPa, a metallic atomic liquid is stable at temperatures as low as 50 K. The quantum motion of the protons is critical to the low melting temperature reported, as simulations with classical nuclei lead to considerably higher melting temperatures of ~300 K across the entire pressure range considered.

Entities:  

Year:  2013        PMID: 23807128     DOI: 10.1038/ncomms3064

Source DB:  PubMed          Journal:  Nat Commun        ISSN: 2041-1723            Impact factor:   14.919


  6 in total

1.  Raman spectroscopy of hot hydrogen above 200 GPa.

Authors:  Ross T Howie; Philip Dalladay-Simpson; Eugene Gregoryanz
Journal:  Nat Mater       Date:  2015-02-23       Impact factor: 43.841

2.  Coarse-Graining of Imaginary Time Feynman Path Integrals: Inclusion of Intramolecular Interactions and Bottom-up Force-Matching.

Authors:  Won Hee Ryu; Gregory A Voth
Journal:  J Phys Chem A       Date:  2022-08-25       Impact factor: 2.944

3.  The phase diagram of high-pressure superionic ice.

Authors:  Jiming Sun; Bryan K Clark; Salvatore Torquato; Roberto Car
Journal:  Nat Commun       Date:  2015-08-28       Impact factor: 14.919

4.  Predicted reentrant melting of dense hydrogen at ultra-high pressures.

Authors:  Hua Y Geng; Q Wu
Journal:  Sci Rep       Date:  2016-11-11       Impact factor: 4.379

5.  Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures.

Authors:  N D Drummond; Bartomeu Monserrat; Jonathan H Lloyd-Williams; P López Ríos; Chris J Pickard; R J Needs
Journal:  Nat Commun       Date:  2015-07-28       Impact factor: 14.919

6.  Nuclear quantum dynamics in dense hydrogen.

Authors:  Dongdong Kang; Huayang Sun; Jiayu Dai; Wenbo Chen; Zengxiu Zhao; Yong Hou; Jiaolong Zeng; Jianmin Yuan
Journal:  Sci Rep       Date:  2014-06-27       Impact factor: 4.379

  6 in total

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