Related papers: Superionic hydrogen in Earth's deep interior
Solid rigidity and liquid-scale mobility are thought incompatible in elemental substances. One cannot have an elemental solid that is long-range positionally ordered wherein the atoms flow like in a liquid simultaneously. The only exception…
Hydrogen-rich superhydrides are believed to be very promising high-T$_c$ superconductors, with experimentally observed critical temperatures near room temperature, as shown in recently discovered lanthanide superhydrides at very high…
Barred galaxies are known to possess magnetic fields that may affect the properties of bar substructures such as dust lanes and nuclear rings. We use two-dimensional high-resolution magnetohydrodynamic (MHD) simulations to investigate the…
The demographics of sub-Jovian planets around low-mass stars is dominated by populations of ``sub-Neptunes" and ``super-Earths", distinguished by the presence or absence of envelopes of low-molecular weight volatiles, i.e., H2, He, and H2O.…
Recently, the experimental discovery of high-$T_c$ superconductivity in compressed hydrides H$_3$S and LaH$_{10}$ at megabar pressures has triggered searches for various superconducting superhydrides. It was experimentally observed that…
The Earth's crust is known to be depleted of gold, among other slightly heavy noble metals transported by magma from the Earth's mantle to the crust. The bulk silicate Earth (BSE) model also suggests significant depletion of Au in the…
The high critical superconducting temperatures ($T_c$s) of metal hydride phases with clathrate-like hydrogen networks have generated great interest. Herein, we employ the Density Functional Theory-Chemical Pressure (DFT-CP) method to…
High-precision infrared spectroscopic measurements now enable detailed characterization of sub-Neptune atmospheres, potentially providing constraints on their interiors. Motivated by this, atmospheric models have been developed to explore…
Temperate sub-Neptunes are compelling targets for detecting liquid-water oceans beyond the Solar System. If water-rich and lacking massive hydrogen-helium envelopes, these planets could sustain liquid layers beneath their atmospheres…
Rocky planets are thought to comprise compounds of Mg and O as these are among the most abundant elements, but knowledge of their stable phases may be incomplete. MgO is known to be remarkably stable to very high pressure and chemically…
We study \textit{ab initio} a pyrochlore compound, CsW$_{2}$O$_{6}$, which exhibits a yet unexplained metal-insulator transition. We find that (1) the reported low-$T$ structure is likely inaccurate and the correct structure has a twice…
An understanding of the abundance and distribution of water vapor in the innermost region of protoplanetary disks is key to understanding the origin of habitable worlds and planetary systems. Past observations have shown H2O to be abundant…
We have systematically searched for the ground state structures of bismuth hydrides based on evolutionary algorithm method and particle swarm optimization algorithm method. Given only rich-hydrogen region, except for BiH$_{3}$, other…
Hydrogen, helium, silicates, and iron are key building blocks of rocky and gas-rich planets, yet their chemical interactions remain poorly constrained. Using first-principles molecular dynamics and thermodynamic integration, we quantify…
The magnetic properties attributed to the hydroxide layer of Li1-xFex(OH)Fe1-ySe have been elucidated by the study of superconducting and nonsuperconducting members of this family. Both ac magnetometry and muon spin relaxation measurements…
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…
Iron disproportionation reactions in mantle silicates can produce metallic iron that drives Earth's deep mantle toward metal saturation under reduced conditions. Subducting slabs transport hydrated silicates to these depths, where…
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…
\textit{Ab initio} random structure searching based on density functional theory is used to determine the ground-state structures of ice at high pressures. Including estimates of lattice zero-point energies, ice is found to adopt three…
Molecules with an excess number of hydrogen-bonding partners play a crucial role in fundamental chemical processes, ranging from the anomalous diffusion in supercooled water to the transport of aqueous proton defects and the ordering of…