Related papers: MgO Miscibility in Liquid Iron
Synthesizing distinct phases and controlling the crystalline defects in them are key concepts in materials and process design. These approaches are usually described by decoupled theories, with the former resting on equilibrium…
Being a lithophile element at ambient pressure, magnesium is long believed to be immiscible with iron. A recent study by Gao et al. [1] showed that pressure turns magnesium into a siderophile element and can produce unconventional Fe-Mg…
Using a Ginzburg-Landau model, we study the phase transition behavior of compressible Ising systems at constant volume by varying the temperature $T$ and the applied magnetic field $h$. We show that two phases can coexist macroscopically in…
We present a 5-phase equation of state (EOS) for elemental carbon. The phases considered are: diamond, BC8, simple-cubic, simple-hexagonal, and the liquid/plasma state. The solid phase free energies are constrained by density functional…
Fe exists abundantly in the universe. In particular, the dynamical structures and transport properties of warm dense Fe are crucial for understanding the evolution and structures of giant planets. In this article, we present the ionic…
The polymorphism and mechanism of helium compounds is crucial for understanding the physical and chemical nature of He-bearing materials under pressures. Here, we predict two new types of He-bearing compounds, MgHe and MgnHe (n = 6, 8, 10,…
Current transport in polycrystalline magnesium diboride is highly non-uniform (percolative) due to the presence of secondary phases and also due to the intrinsic anisotropy of the material. The influence of secondary phases on the transport…
Given the unique optical properties of LiF, it is often used as an observation window in high-temperature and pressure experiments; and, hence, estimates of its transmission properties are necessary to interpret observations. Since direct…
This paper presents a study of the chemical compositions in cool gas around a sample of 27 intermediate-redshift galaxies. The sample comprises 13 massive quiescent galaxies at z=0.40-0.73 probed by QSO sightlines at projected distances…
Multicomponent quantum gases are ideal platforms to study fundamental phenomena arising from the mutual interaction between different constituents. Particularly, due to the repulsive interactions between two species, the system may exhibit…
The vastness of the space of possible multicomponent metal alloys is hoped to provide improved structural materials but also challenges traditional, low-throughput materials design efforts. Computational screening could narrow this search…
Crystal growth experiments (micro-pulling down or Czochralski methods, respectively) and DTA/TG measurements with Fe2+ containing olivines (fayalite--forsterite solid solution) and with FeO (wustite) are performed. For both substances the…
We present a systematic theoretical investigation of the surface properties, stability and reactivity, of rock-salt type alkaline-earth metal oxides including MgO, CaO, SrO, and BaO. The accuracy of commonly used exchange-correlation…
We propose a model for the two-dimensional electron gas formed at the interface of oxide heterostructures that includes a Rashba spin-orbit coupling proportional to an electric field oriented perpendicularly to the interface. Taking into…
Light-front analysis of pi^{-} mesons in Mg-Mg collisions is carried out. The phase space of secondary pions is naturally divided into two parts in one of which the thermal equilibration assumption seems to be in a good agreement with data.…
A generic method to estimate the relative feasibility of formation of high entropy compounds in a single phase, directly from first principles, is developed. As a first step, the relative formation abilities of 56 multi-component, AO,…
It has been assumed that hydrogen is negligibly incorporated into core-forming metals below $\sim$3 GPa, and therefore the presence of hydrogen in iron cores of small terrestrial bodies including the moon has not been considered. Here we…
We study water-hydrogen mixtures under planetary interior conditions using ab initio molecular dynamics simulations. We determine the thermodynamic properties of various water-hydrogen mixing ratios at temperatures of 2000 and 6000 K for…
Concentration of Cr in the Fe-rich alpha-phase, x, resulted from a phase decomposition caused by an isothermal annealing at T = 415 and 450 C of a non-irradiated (NR) Fe-Cr14 EFDA sample and that of a He-ions irradiated (IR) one annealed at…
The thermal stability of MgB2 has been studied experimentally to determine the role of thermodynamic and kinetic barriers in the decomposition process. The MgB2 decomposition rate approaches one monolayer per second at 650 C and has an…