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Liquid-liquid phase transition of hydrogen is at the center of hydrogen phase diagram as a promising route towards emergent properties such as the Wigner-Huntington metallization, superconductivity, and superfluidity. Here we report a study…

Materials Science · Physics 2022-06-27 Jianqing Guo , Bingqing Cheng , Limei Xu , Enge Wang , Ji Chen

We perform molecular dynamics simulations driven by accurate Quantum Monte Carlo forces on dense liquid hydrogen. Recently it has been reported a complete atomization transition between a mixed-atomic liquid and a completely dissociated…

Strongly Correlated Electrons · Physics 2015-06-23 Guglielmo Mazzola , Sandro Sorella

We have mapped the molecular-atomic transition in liquid hydrogen using first principles molecular dynamics. We predict that a molecular phase with short-range orientational order exists at pressures above 100 GPa. The presence of this…

Materials Science · Physics 2010-02-11 Isaac Tamblyn , Stanimir A. Bonev

The insulator-metal transition in hydrogen is one of the most outstanding problems in condensed matter physics. The high-pressure metallic phase is now predicted to be liquid atomic from T=0 K to very high temperatures. We have conducted…

Materials Science · Physics 2016-04-20 Mohamed Zaghoo , Ashkan Salamat , Isaac F. Silvera

The study of the high pressure phase diagram of hydrogen has continued with renewed effort for about one century as it remains a fundamental challenge for experimental and theoretical techniques. Here we employ an efficient molecular…

Chemical Physics · Physics 2014-04-23 Guglielmo Mazzola , Seiji Yunoki , Sandro Sorella

Behaviours of hydrogen, such as fluidity and metallicity, are crucial for our understanding of planetary interiors and the emerging field of high-temperature superconducting hydrides. These behaviours were discovered in complex phase…

The electrical resistivity of liquid hydrogen has been measured at the high dynamic pressures, densities and temperatures that can be achieved with a reverberating shock wave. The resulting data are most naturally interpreted in terms of a…

Materials Science · Physics 2009-10-30 W. J. Nellis , A. A. Louis , N. W. Ashcroft

It is generally assumed that solid hydrogen will transform into a metallic alkali-like crystal at sufficiently high pressure. However, some theoretical models have also suggested that compressed hydrogen may form an unusual two-component…

Materials Science · Physics 2009-11-10 Stanimir A. Bonev , Eric Schwegler , Tadashi Ogitsu , Giulia Galli

The molecular phase of hydrogen converts to the atomic metallic phase at high pressures estimated usually as 300 - 500 GPa. We analyze the decay of metallic phase as the pressure is relieved below the transition one. The metallic state is…

Other Condensed Matter · Physics 2018-01-03 S. N. Burmistrov , L. B. Dubovskii

Hydrogen exhibits unusual behaviors at megabar pressures, with consequences for planetary science, condensed matter physics and materials science. Experiments at such extreme conditions are challenging, often resulting in hard-to-interpret…

Materials Science · Physics 2022-01-05 Bingqing Cheng , Guglielmo Mazzola , Michele Ceriotti

Ab initio molecular dynamic method within the framework of density functional theory is applied to analyze the structural and electronic properties of crystalline molecular hydrogen at temperature 100\,K. Pressure, pair correlation function…

Materials Science · Physics 2022-01-12 I. Saitov

The interplay between electron correlation and nuclear quantum effects makes our understanding of elemental hydrogen a formidable challenge. Here, we present the phase diagram of hydrogen and deuterium at low temperatures and high-pressure…

Materials Science · Physics 2023-06-28 Lorenzo Monacelli , Michele Casula , Kosuke Nakano , Sandro Sorella , Francesco Mauri

Quantum effects in condensed matter normally only occur at low temperatures. Here we show a large quantum effect in high-pressure liquid hydrogen at thousands of Kelvins. We show that the metallization transition in hydrogen is subject to a…

Materials Science · Physics 2021-06-09 Sebastiaan van de Bund , Heather Wiebe , Graeme J. Ackland

Metal hydrogen exhibiting electron delocalization properties has been recognized as an important prospect for achieving controlled nuclear fusion, but the extreme pressure conditions required exceeding hundreds of GPa remain a daunting…

Computational Physics · Physics 2025-06-05 Jia Fan , Chenxi Wan , Rui Liu , Zhen Gong , Hongbo Jing , Baiqiang Liu , Siyang Liu , Zhigang Wang

Metallic hydrogen is expected to exhibit remarkable physics. Of particular interest in this work is the possibility of high-temperature superconductivity. Comparing calculations of the superconducting critical temperatures of the solid…

Superconductivity · Physics 2021-07-02 Craig M. Tenney , Zachary F. Croft , Jeffrey M. McMahon

Metallic hydrogen is expected to exhibit remarkable physics. Examples include high-temperature superconductivity and possible novel types of quantum fluids. These could have revolutionary practical applications. The pressures required to…

Materials Science · Physics 2017-05-16 Craig M. Tenney , Keeper L. Sharkey , Jeffrey M. McMahon

The equation of state of liquid metallic hydrogen is solved numerically. Investigations are carried out at temperatures, which correspond both to the experimental conditions under which metallic hydrogen is produced on earth and the…

Chemical Physics · Physics 2016-02-25 V. T. Shvets

Hydrogen at high temperature and pressure undergoes a phase transition from a liquid molecular phase to a conductive atomic state, or liquid metallic hydrogen, sometimes referred to as the plasma phase transition (PPT). The PPT phase line…

Materials Science · Physics 2019-10-30 Matthew Houtput , Jacques Tempere , Isaac F. Silvera

Optical properties of compressed fluid hydrogen in the region where dissociation and metallization is observed are computed by ab-initio methods and compared to recent experimental results. We confirm that above 3000 K both processes are…

Materials Science · Physics 2019-09-04 Giovanni Rillo , Miguel A. Morales , David M. Ceperley , Carlo Pierleoni

Liquid atomic metallic hydrogen is the simplest, lightest, and most abundant of all liquid metals. The role of nucleon motions or ion dynamics has been somewhat ignored in relation to the dissociative insulator-metal transition. Almost all…

Other Condensed Matter · Physics 2018-09-12 Mohamed Zaghoo , Rachel Husband , Isaac F. Silvera
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