相关论文: Helium Induced Nitrogen Salt at High Pressure
Using ab initio evolutionary simulations, we predict the existence of five novel stable Li-N compounds at pressures from 0 to 100 GPa (Li13N, Li5N, Li3N2, LiN2, and LiN5). Structures of these compounds contain of isolated N ions, N2 dimers,…
We demonstrate in this paper that high pressure can promote the reactions between the ionic compounds and H2 molecules and form thermodynamically stable hybrid compounds. Using crystal structure search method based on first principles…
High-pressure polymeric structures of nitrogen have attracted great attention owing to their potential application as high-energy-density materials. We report the density functional structural prediction of the unexpected stabilization of a…
Fusion energy stands out as a promising alternative for a future decarbonised energy system. To be sustainable, future fusion nuclear reactors will have to produce their own tritium. In the so-called breeding blanket of a reactor, the…
Evolutionary searches were employed to predict the most stable structures of perovskites with helium atoms on their A-sites up to pressures of 10 GPa. The thermodynamics associated with helium intercalation into [CaZr]F6, structure that…
The $1s^2->1s2p(^1P)$ excitation in confined and compressed helium atoms in either the bulk material or encapsulated in a bubble is shifted to energies higher than that in the free atom. For bulk helium, the energy shifts predicted from…
We demonstrate that the intricate energy spectrum of neutron-rich helium isotopes can be straightforwardly described by taking advantage of the low-energy properties of neutron-neutron interaction and the scale separation that is present in…
Recent observations and theoretical investigations of neutron stars indicate that their atmospheres consist not of hydrogen or iron but possibly other elements such as helium. We calculate the ionization and dissociation equilibrium of…
Based on electronic structure calculations, the structure of intrinsic positive charge solvated in superfluid helium is identified as triatomic He3^+ ion, which is bound to the surrounding ground state helium atoms through the charge -…
A model of a mixed helium-hydrogenic atmosphere of the isolated neutron star 1E1207.4-5209 is proposed. It is based on the assumption that the main components in the atmosphere are the exotic molecular ions $He_2^{3+}$ and $H_3^{2+}$ with…
Hydrogen and helium are the most abundant elements in the universe and they constitute the interiors of gas giant planets. Thus, their equations of states, phase, chemical state, and chemical reactivity at extreme conditions are of great…
We present a semi-analytical free-energy model aimed at characterizing the thermodynamic properties of dense fluid helium, from the low-density atomic phase to the high-density fully ionized regime. The model is based on a free-energy…
Ammonium DiNitramide (ADN) is one of the most promising green energetic oxidizers for future rocket propellant formulations. In the present work, we report a detailed theoretical study on structural, elastic, and vibrational properties of…
The present work reported a novel L12-strengthening NiCoCrAlTi high entropy alloy (HEA) with an outstanding synergy of tensile strength and ductility at both ambient and high temperatures. Transmission electron microscopy (TEM)…
Recently, Grockowiak $\textit{et al.}$ reported "hot superconductivity" in ternary or multinary compounds based on lanthanum hydride [A. D. Grockowiak $\textit{et al.}$, Front. Electron. Mater. $\textbf{2}$, 837651 (2022)]. In this paper,…
The abundant chemical compositions in ternary hydrides bring much more possibility to explore high temperature superconductors under lower pressure. Here we constructed 115 ternary hydrides on the basis of the elements substitution using 16…
Future fusion nuclear reactors will produce sustainable energy form the fusion of deuterium and tritium. In order to do so, the reactors will need to produce their own tritium through the neutron bombardment of lithium. Such reaction will…
Neutron rich He nuclei have been investigated using relativistic mean field approach in co-ordinate space. Elastic partial scattering cross sections for proton scattering in inverse kinematics have been calculated using the theoretically…
We examine the impact of helium reionization on the structure of the intergalactic medium (IGM). We model the reionization using a radiative transfer (RT) code coupled to the combined gravity hydrodynamics code Enzo. Neutral hydrogen and…
Hydrogen (H2) possesses the highest gravimetric energy density of any chemical fuel and is the most abundant element in the universe. However, its extremely low volumetric energy density at standard conditions imposes a fundamental…