相关论文: Ab initio superionic-liquid phase diagram of Fe1-x…

Hydrogen is considered a major light element in Earth's core, yet the thermodynamics of its superionic phase and its distribution in the inner core remain unclear. Here, we compute ab initio Gibbs free energies for liquid and superionic hcp…

Earth's inner core (IC) serves as a reservoir for volatile elements, which significantly affects its behavior and properties. Recent studies suggest that superionicity can be observed in ice and iron hydrides under high-pressure and…

The ion-ion interactions become exponentially screened for ions confined in ultranarrow metallic pores. To study the phase behaviour of an assembly of such ions, called a superionic liquid, we develop a statistical theory formulated on…

The Fe-Ni alloy is believed to be the main component of Earth's core. Yet, a comprehensive understanding of phase equilibria near the melting point of this alloy under core conditions is still lacking, leaving the effect of nickel…

Most water in the universe may be superionic, and its thermodynamic and transport properties are crucial for planetary science but difficult to probe experimentally or theoretically. We use machine learning and free energy methods to…

Matter under irradiation may enter unusual transient states, outside of its equilibrium phase diagram. One of such states is a superionic-like state, in which one sublattice of a compound liquifies, whereas another one remains solid. Here,…

Using density functional molecular dynamics simulations, we study the behavior of different hydrogen-oxygen compounds at megabar pressures and several thousands of degrees Kelvin where water has been predicted to occur in superionic form.…

The equilibrium phase diagram of a 1:1 symmetrical mixture composed of oppositely charged colloids is calculated using Monte Carlo simulations. We model the system by the DLVO effective interaction potential. The phase diagram is similar to…

Superionic states are phases of matters that can simultaneously exhibit some of the properties of a fluid and of a solid. Superionic states of ice, H$_{3}$O, He-H$_{2}$O or He-NH$_{3}$ compounds have been reported in previous works.…

Most experimentally known high-pressure ice phases have a body-centred cubic (bcc) oxygen lattice. Our atomistic simulations show that, amongst these bcc ice phases, ices VII, VII' and X are the same thermodynamic phase under different…

We map the mean-field Ising model equation of state onto the QCD phase diagram, and reconstruct the full coexistence region in the case of a first order phase transition. Beyond the coexistence line, we maintain access to the spinodal…

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…

We present the first comprehensive derivation of the intrinsic electronic phase diagram of the iron-oxypnictide superconductors in the normal state based on the analysis of the electrical resistivity $\rho$ of both LaFeAsO$_{1-x}$F$_x$ and…

When an ionic liquid adsorbs onto a porous electrode, its ionic arrangement is deeply modified due to a screening of the Coulombic interactions by the metallic surface and by the confinement imposed upon it by the electrode's morphology. In…

The paper presents a model for liquid uranium dioxide, obtained by improving a simplified ionic model, previously adopted to describe the equation of state of this substance [1]. A "chemical picture" is used for liquid UO2 of stoichiometric…

The phase diagram of ice is studied by a quasi-harmonic approximation. The free energy of all experimentally known ice phases has been calculated with the flexible q-TIP4P/F model of water. The only exception is the high pressure ice X, in…

In 2D bosonic systems ultra-soft interactions develop an interesting phenomenology that ultimately leads to the appearance of supersolid phases in free space conditions. While suggested in early theoretical works and despite many further…

We employ state-of-the-art ab initio simulations within the dynamical mean-field theory to study three likely phases of iron (hexogonal close-packed, hcp, face centered cubic, fcc, and body centered cubic, bcc) at the Earth's core…

Superionic hydrogen was previously thought to be an exotic state predicted and confirmed only in pure H2O ice. In Earth's deep interior, H2O exists in the form of O-H groups in ultra-dense hydrous minerals, which have been proved to be…

We investigate a supersolid state in hardcore boson models on the face-centered-cubic (FCC) lattice. The supersolid state is characterized by a coexistence of crystalline order and superfluidity. Using a quantum Monte Carlo method based on…