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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…

强关联电子 · 物理学 2015-06-23 Guglielmo Mazzola , Sandro Sorella

We examine the molecular-atomic transition in liquid hydrogen as it relates to metallization. Pair potentials are obtained from first principles molecular dynamics and compared with potentials derived from quadratic response. The results…

材料科学 · 物理学 2010-04-02 Isaac Tamblyn , Stanimir A. Bonev

Solid atomic hydrogen is one of the simplest systems to undergo a metal-insulator transition. Near the transition, the electronic degrees of freedom become strongly correlated and their description provides a difficult challenge for…

强关联电子 · 物理学 2013-09-30 Jeremy McMinis , Miguel Morales , David M. Ceperley , Jeongnim Kim

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…

化学物理 · 物理学 2014-04-23 Guglielmo Mazzola , Seiji Yunoki , Sandro Sorella

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…

材料科学 · 物理学 2016-04-20 Mohamed Zaghoo , Ashkan Salamat , Isaac F. Silvera

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…

材料科学 · 物理学 2009-10-30 W. J. Nellis , A. A. Louis , N. W. Ashcroft

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…

超导电性 · 物理学 2021-07-02 Craig M. Tenney , Zachary F. Croft , Jeffrey M. McMahon

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…

其他凝聚态物理 · 物理学 2018-01-03 S. N. Burmistrov , L. B. Dubovskii

Although hydrogen is the simplest of atoms, it does not form the simplest of solids or liquids. Quantum effects in these phases are considerable (a consequence of the light proton mass) and they have a demonstrable and often puzzling…

超导电性 · 物理学 2007-05-23 Egor Babaev , Asle Sudbo , N. W. Ashcroft

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…

材料科学 · 物理学 2023-06-28 Lorenzo Monacelli , Michele Casula , Kosuke Nakano , Sandro Sorella , Francesco Mauri

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…

材料科学 · 物理学 2019-10-30 Matthew Houtput , Jacques Tempere , Isaac F. Silvera

The article is devoted to numerical studies of atomic (metal) hydrogen with Path Integral Monte Carlo (PIMC) technique. The research is focused on the range of temperatures and densities where quantum statistics effects are crucial for…

其他凝聚态物理 · 物理学 2013-04-10 Alexander Novoselov , Oleg Pavlovsky , Maxim Ulybyshev

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…

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…

材料科学 · 物理学 2009-11-10 Stanimir A. Bonev , Eric Schwegler , Tadashi Ogitsu , Giulia Galli

Hydrogen has been the essential element in the development of atomic and molecular physics1). Moving to the properties of dense hydrogen has appeared a good deal more complex than originally thought by Wigner and Hungtinton in their seminal…

材料科学 · 物理学 2019-06-14 Paul Loubeyre , Florent Occelli , Paul Dumas

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…

材料科学 · 物理学 2022-01-12 I. Saitov

Dias and Silvera (Letters, p. 715, 2017) claim the observation of the Wigner-Huntington transition to metallic hydrogen at 495 GPa. We show that neither the claims of the record pressure or the phase transition to a metallic state are…

材料科学 · 物理学 2018-04-05 Xiao-Di Liu , Philip Dalladay-Simpson , Ross T. Howie , Bing Li , Eugene Gregoryanz

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…

材料科学 · 物理学 2017-05-16 Craig M. Tenney , Keeper L. Sharkey , Jeffrey M. McMahon

Direct fermionic path-integral Monte-Carlo simulations of strongly coupled hydrogen are presented. Our results show evidence for the hypothetical plasma phase transition. Its most remarkable manifestation is the appearance of metallic…

软凝聚态物质 · 物理学 2009-11-07 V. S. Filinov , V. E. Fortov , M. Bonitz , P. R. Levashov

The first-principle method of mathematical modeling was used to calculate the structural, electronic, phonon, and other characteristics of the normal metallic phase of hydrogen at a pressure of 500 GPa. It has been shown that metal hydrogen…

超导电性 · 物理学 2016-07-06 Nikolay Degtyarenko , Evgeny Mazur
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