相关论文: Ethane-xenon mixtures under shock conditions
Electron-electron ($e$-$e$) and electron-phonon ($e$-ph) interactions are challenging to describe in correlated materials, where their joint effects govern unconventional transport, phase transitions, and superconductivity. Here we combine…
We examine the nanoscale behavior of an equilibrium three-phase contact line in the presence of long-ranged intermolecular forces by employing a statistical mechanics of fluids approach, namely density functional theory (DFT) together with…
We have computed the correlated electronic structure of FeSe and its dependence on the A1g mode versus compression. Using the self-consistent density functional theory - dynamical mean field theory (DFT-DMFT) with continuous time quantum…
These are introductory lectures to some aspects of the physics of strongly correlated electron systems. I first explain the main reasons for strong correlations in several classes of materials. The basic principles of dynamical mean-field…
Water, ethanol, and ammonia are the key components of the mantles of Uranus and Neptune. To improve structure and evolution models and give an explanation of the magnetic fields and luminosities of the icy giants, those components need to…
Density functional theory (DFT) is an exact alternative formulation of quantum mechanics, in which it is possible to calculate the total energy, the spin and the charge density of many-electron systems in the ground state. In practice, it…
The response of liquid xenon to various types of ionizing radiation has been extensively studied theoretically and experimentally. Recent progress in direct detection dark matter experiments highlights the significance of composite events,…
In this study some properties of the methanol-water mixture such as diffusivity, density, viscosity, and hydrogen bonding were calculated at different temperatures and atmospheric pressure using molecular dynamics simulations (MDS). The…
Dynamical Mean-Field Theory (DMFT) has opened new perspectives for the investigation of strongly correlated electron systems and greatly improved our understanding of correlation effects in models and materials. In contrast to…
We study the spin-crossover molecule Fe(phen)$_2$(NCS)$_2$ using density functional theory (DFT) plus dynamical mean-field theory, which allows access to observables not attainable with traditional quantum chemical or electronic structure…
Electron-ion interactions play a central role for the energy relaxation processes and ultra-fast structure dynamics in laser-heated matter. The accurate prediction of the electron-ion energy exchange in a transient excited two-temperature…
Dynamic density functional theory (DDFT) is a promising approach for predicting the structural evolution of a drying suspension containing one or more types of colloidal particles. The assumed free-energy functional is a key component of…
Electron-phonon ($e$-ph) interactions are pervasive in condensed matter, governing phenomena such as transport, superconductivity, charge-density waves, polarons and metal-insulator transitions. First-principles approaches enable accurate…
We investigate rotating effect on deconfinement phase transition in an Einstein-Maxwell-Dilaton(EMD) model in bottom-up holographic QCD approach. By constructing a rotating black hole, which is supposed to be dual to rotating strongly…
We study a minimal model of pseudo-Dirac dark matter, interacting through transition electric and magnetic dipole moments. Motivated by the fact that xenon experiments can detect electrons down to $\sim$\,keV recoil energies, we consider…
We introduce a general method to merge multidimensional equations of state (EoSs) by combining them in a two-fluid equilibrium statistical mixture in the grand canonical ensemble. The merged grand potential density $\omega$ is built…
The occurrence of a first-order hadron-quark matter phase transition at high baryon densities is investigated in astrophysical simulations of core-collapse supernovae, to decipher yet incompletely understood properties of the dense matter…
The equation of state (EoS) and composition of dense and hot $\Delta$-resonance admixed hypernuclear matter is studied under conditions that are characteristic of neutron star binary merger remnants and supernovas. The cold, neutrino free…
A classical density functional theory (cDFT) based on the PC-SAFT equation of state is proposed for the calculation of adsorption equilibria of pure substances and their mixtures in covalent organic frameworks (COFs). Adsorption isotherms…
Simulations of relativistic heavy-ion collisions within the three-fluid model employing a purely hadronic equation of state (EoS) and two versions of the EoS involving deconfinement transition are presented. The latter are an EoS with the…