Related papers: Polymorphism of superionic ice
The properties of water ice at megabar pressure are characterized with ab initio computer simulations. The focus lies on the metallic Cmcm phase and its insulating distorted analogue with Pnma symmetry. Both phases were recently predicted…
We recently proposed a high-pressure and high-temperature P-62m-symmetry polymorph for CaF2 on the basis of ab-initio random structure searching and density-functional theory calculations [Phys. Rev. B 95, 054118 (2017)]. We revisit this…
Water exhibits rich polymorphism, where more than 20 crystalline phases have been experimentally reported. Five of them are metastable and form at low temperatures by either heating amorphous ice or degassing clathrate hydrates. However,…
A novel liquid-liquid phase transition has been proposed and investigated in a wide variety of pure substances recently, including water, silica and silicon. From computer simulations using the Stillinger-Weber classical empirical…
The theoretical exploration of the phase diagrams of binary hydrides under pressure using \emph{ab initio} crystal structure prediction techniques coupled with first-principles calculations has led to the \emph{in silico} discovery of…
We applied synchrotron single-crystal X-ray diffraction in a diamond anvil cell at 48-51 GPa and first-principles theoretical calculations to study the crystal structure of solid atomic iodine at high pressure. We report the synthesis of…
The noble elements constitute the simplest group of atoms. At low temperatures or high pressures they freeze into the face-centered cubic (fcc) crystal structure (except helium). We perform molecular dynamics using the recently proposed…
(Abridged) We present a systematic investigation of physical conditions and elemental abundances in four optically thick Lyman-limit systems (LLSs) at $z=0.36-0.6$ discovered within the Cosmic Ultraviolet Baryon Survey (CUBS). CUBS LLSs…
We present a study of gas-phase H2O and CO2 toward a sample of 14 massive protostars with the Short Wavelength Spectrometer (SWS) on board the Infrared Space Observatory (ISO). Modeling of the H2O spectra using a homogeneous model with a…
Eccentric planets may spend a significant portion of their orbits at large distances from their host stars, where low temperatures can cause atmospheric CO2 to condense out onto the surface, similar to the polar ice caps on Mars. The…
We report a detailed ab initio investigation on the optical properties of ice under a wide high pressure range. The ice X phase (up to 380GPa), the theoretical proposed higher pressure phase ice XV (300GPa), as well as the ambient pressure…
Recent observations of the ground state transition of HDO at 464 GHz towards the protoplanetary disk of DM Tau have detected the presence of water vapor in the regions just above the outer disk midplane (Ceccarelli et al 2005). In the…
The planet GJ 1214b is the second known super-Earth with a measured mass and radius. Orbiting a quiet M-star, it receives considerably less mass-loss driving X-ray and UV radiation than CoRoT-7b, so that the interior may be quite dissimilar…
The coexistence and competition of superconductivity and magnetism can lead to a variety of rich physics and technological applications. Recent discovery of atomic-layer superconductors and self-assembly of magnetic molecules on solid…
Computational searches for stable and metastable structures of water ice and other H:O compositions at TPa pressures have led us to predict that H$_2$O decomposes into H$_2$O$_2$ and a hydrogen-rich phase at pressures of a little over 5…
To date, at least three comets -- 2I/Borisov, C/2016 R2 (PanSTARRS), and C/2009 P1 (Garradd) -- have been observed to have unusually high CO concentrations compared to water. We attempt to explain these observations by modeling the effect…
Since the discovery of superconductivity at 200 K in H3S [1] similar or higher transition temperatures, Tcs, have been reported for various hydrogen-rich compounds under ultra-high pressures [2]. Superconductivity was experimentally proved…
We present a detailed model for the thermal balance, chemistry, and radiative transfer within quiescent dense molecular cloud cores that contain a central protostar. Large variations in the gas temperature are expected to affect the…
Future direct-imaging exoplanet missions such as WFIRST/AFTA, Exo-C, and Exo-S will measure the reflectivity of exoplanets at visible wavelengths. The exoplanets to be observed will be located further away from their parent stars than is…
The core accretion theory for giant planet formation predicts enrichment of elemental abundances in planetary envelopes caused by runaway accretion of planetesimals, which is consistent with measured super-solar abundances of C, N, P, S,…