相关论文: Improved Ionic Model of Liquid Uranium Dioxide

We consider a partially ionized gas at thermal equilibrium, in the Saha regime. The system is described in terms of a quantum plasma of nuclei and electrons. In this framework, the Coulomb interaction is the source of a large variety of…

To explore the formation of noncollinear magnetic configurations in materials with strongly correlated electrons, we derive a noncollinear LSDA+$U$ model involving only one parameter $U$, as opposed to the difference between the Hubbard and…

The coefficients of different combinations of terms of the liquid drop model have been determined by a least square fitting procedure to the experimental atomic masses. The nuclear masses can also be reproduced using a Coulomb radius taking…

We present a model for electron-ion transport in Warm Dense Matter that incorporates Coulomb coupling effects into the quantum Boltzmann equation of Uehling and Uhlenbeck through the use of a statistical potential of mean force. Although…

We construct an explicitly solvable Landau mean-field theory for volume phase transitions of confined or fixed ions driven by relative concentrations of divalent and monovalent counterions. Such phase transitions have been widely studied in…

Progress in electrochemical applications of ionic liquids builds on an understanding of electrical double-layer. This computational study focuses on structure-determined quantities -- maximum packing density, potentials and capacitances --…

Solvent can occupy up to ~70% of macromolecular crystals and hence having models that predict solvent distributions in periodic systems could improve in the interpretation of crystallographic data. Yet there are few implicit solvent models…

This article contains data on structural characterization of the [C2Mim][NTf2] in bulk and in nano-confined environment obtained using MD simulations. These data supplement those presented in the paper Insights from Molecular Dynamics…

A local turbulence model is developed to study energy cascades in the heliosheath and outer heliosphere (OH) based on self-consistent two-dimensional fluid simulations. The model describes a partially ionized magnetofluid OH that couples a…

We simulate the dynamics, including laser cooling, of 3D ion crystals confined in a Penning trap using a newly developed molecular dynamics-like code. The numerical integration of the ions' equations of motion is accelerated using the fast…

A fundamental two-fluid model for describing dynamics of a plasma is the Euler-Poisson system, in which compressible ion and electron fluids interact with their self-consistent electrostatic force. Global smooth electron dynamics were…

Two-dimensional ionic liquids with single site anion and cation-neutral dimer are studied by computer simulations and integral equation techniques, with the aim of characterizing differences with single site anion-cation mixtures, and also…

Collisional relaxation of Coulomb systems is studied in the strongly coupled regime. We use an optical pump-probe approach to manipulate and monitor the dynamics of ions in an ultracold neutral plasma, which allows direct measurement of…

X-ray absorption and resonant X-ray emission measurements at the O 1s edge of the uranium oxides UO2, U3O8 and UO3 are presented. The spectral shapes of the O K{\alpha} X-ray emission spectra of UO3 exhibit significant excitation energy…

Analytical equation of state for pure alkali metals (lithium, sodium, potassium, rubidium and cesium) in equilibrium gas phase is proposed. This equation has a simple form, generalizes the equation of state for a perfect gas and is…

This work presents a multidisciplinary mathematical model, as a set of coupled governing equations and auxiliary relations describing the fluid-flow, thermal, and electric fields of partially-ionized plasma with low magnetic Reynolds…

The phase behaviour and dynamics of molecular ionic liquids are studied using primitive models and extensive computer simulations. The models account for size disparity between cation and anion, charge location on the cation, and…

The quark-gluon plasma close to the critical temperature is a strongly interacting system. Using strongly coupled, classical, non-relativistic plasmas as an analogy, we argue that the quark-gluon plasma is in the liquid phase. This allows…

The primitive model of ionic systems is investigated within a field-theoretic description for the whole range of size-, \lambda, and charge, Z, ratios of the two ionic species. Two order parameters (OP) are identified, and their relations…

The shape and orientation of colliding nuclei play a crucial role in determining the initial conditions of the quark-gluon plasma (QGP), which influence key observables such as anisotropic and radial flow. In these proceedings, we present…