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Related papers: Metallization of Shock-Compressed Liquid Ammonia

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We investigate via quantum molecular-dynamics simulations the thermophysical properties of shocked liquid ammonia up to the pressure 1.3 TPa and temperature 120000 K. The principal Hugoniot is predicted from wide-range equation of state,…

Materials Science · Physics 2015-06-16 Dafang Li , Ping Zhang , Jun Yan

Polyhydrides have been shown to form novel structures at high pressure, which may be found in the interiors of giant planets. With density functional molecular dynamics simulations we studied the behavior of ammonium polyhydride compounds…

Materials Science · Physics 2025-12-01 Kyla de Villa , Xiaoyu Wang , Eva Zurek , Burkkhard Militzer

Water, ethanol, and ammonia are the key components of the mantles of Uranus and Neptune. To improve structure and evolution models and give an explanation of the magnetic fields and luminosities of the icy giants, those components need to…

Ammonia, if present in the ice shells of icy satellites, could lower the temperature for the onset of melting to 176 K and create a large temperature range where partial melt is thermally stable. The evolution of regions of ammonia-rich…

Earth and Planetary Astrophysics · Physics 2019-01-23 Noah P. Hammond , Marc Parmentier , Amy C. Barr

Recently there has been tremendous increase in the number of identified extra-solar planetary systems. Our understanding of their formation is tied to exoplanet internal structure models, which rely upon equations of state of light elements…

Earth and Planetary Astrophysics · Physics 2015-06-03 M. D. Knudson , M. P. Desjarlais , R. W. Lemke , T. R. Mattsson , M. French , N. Nettelmann , R. Redmer

Using density functional theory molecular dynamics simulations, we predict shock Hugoniot curves of precompressed methane up to 75000 K for initial densities ranging from 0.35 to 0.70 g/cc. At 4000 K, we observe the transformation into a…

Materials Science · Physics 2015-06-05 Benjamin L. Sherman , Hugh F. Wilson , Dayanthie Weeraratne , Burkhard Militzer

The ice giant planets Uranus and Neptune are assumed to contain large amounts of planetary ices such as water, methane, and ammonia. The properties of mixtures of such ices at the extreme pressures and temperatures of planetary interiors…

Earth and Planetary Astrophysics · Physics 2024-10-24 Kyla de Villa , Felipe Gonzalez-Cataldo , Burkhard Militzer

Using two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, we derive the equation of state of magnesium in the regime of warm dense matter, with densities ranging…

Materials Science · Physics 2020-08-20 Felipe González-Cataldo , François Soubiran , Burkhard Militzer

Water is abundant in natural environments but the form it resides in planetary interiors remains uncertain. We report combined synchrotron X-ray diffraction and optical spectroscopy measurements of H2O in the laser-heated diamond anvil cell…

Materials Science · Physics 2020-07-16 Vitali B. Prakapenka , Nicholas Holtgrewe , Sergey S. Lobanov , Alexander Goncharov

We study the high-pressure melting behavior of titanium using laser-driven shock compression with in situ femtosecond x-ray diffraction and molecular-dynamics simulations based on a machine-learned interatomic potential. The MD simulations…

Sub-Neptunes represent the largest exoplanet demographic, yet their bulk compositions remain poorly understood. Recent studies suggested that only very cold planets, such as Uranus and Neptune, could experience stratification of volatiles…

We describe a mechanical equation of state for NH3, based on shock wave measurements for liquid ammonia. The shock measurements, for an initial temperature of 203 K, extended to 1.54 g/cc and 38.6 GPa. The shock and particle speeds were…

Earth and Planetary Astrophysics · Physics 2011-10-17 Damian C. Swift

The principal Hugoniot of carbon, initially diamond, was measured from 3 to 80 TPa (30 to 800 million atmospheres), the highest pressure ever achieved, using radiography of spherically-converging shocks. The shocks were generated by…

We present estimates of the critical properties, thermodynamic functions, and principal shock Hugoniot of hot dense aluminum fluid as predicted from a chemical model for the equation-of-state of hot dense, partially ionized and partially…

Plasma Physics · Physics 2018-04-04 Mofreh R. Zaghloul

Quantum molecular dynamic (QMD) simulations are introduced to study the thermophysical properties of liquid deuterium under shock compression. The principal Hugoniot is determined from the equation of states, where contributions from…

Materials Science · Physics 2015-05-18 Cong Wang , Xian-Tu He , Ping Zhang

In the last decade, there has been great progress in predicting and synthesizing polyhydrides that exhibit superconductivity when squeezed. Dopants allow these compounds to become metals at pressures lower than those required to metallize…

Materials Science · Physics 2024-05-21 Xiaoyu Wang , Nisha Geng , Kyla de Villa , Burkard Militzer , Eva Zurek

Understanding the behavior of the water-ammonia system at high pressure-high temperature conditions is important for modeling the internal dynamics of exoplanet icy mantles. Conventionally, mixtures of ammonia hemihydrate AHH (2:1…

Earth and Planetary Astrophysics · Physics 2025-08-19 Anshuman Mondal , Katharina Mohrbach , Timofey Fedotenko , Mandy Bethkenhagen , Hanns-Peter Liermann , Carmen Sanchez-Valle

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…

Materials Science · Physics 2020-07-15 Federico Grasselli , Lars Stixrude , Stefano Baroni

(abridged) We present ATCA and GBT observations of ammonia (NH3) toward the ultraluminous infrared galaxy (ULIRG) merger Arp220. We detect the NH3 (1,1), (2,2), (3,3), (4,4), (5,5), and (6,6) inversion lines in absorption against the…

Cosmology and Nongalactic Astrophysics · Physics 2015-05-30 Juergen Ott , Christian Henkel , James A Braatz , Axel Weiss

We report experimental and theoretical evidence that solid molecular ammonia becomes unstable at room temperature and high pressures and transforms into an ionic crystalline form. This material has been characterised in both hydrogenated…

Materials Science · Physics 2014-01-08 S. Ninet , F. Datchi , P. Dumas , M. Mezouar , G. Garbarino , A. Mafety , C. J. Pickard , R. J. Needs , A. M. Saitta
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