相关论文: Improved Ionic Model of Liquid Uranium Dioxide
We present a systematic study of the effect of the ion pairing on the gas-liquid phase transition of hard-core 1:1 electrolyte models. We study a class of dipolar dimer models that depend on a parameter R_c, the maximum separation between…
Making use of the energetics and equations of state of defective uranium dioxide that calculated with first-principles method, we demonstrate a possibility of constraining the formation energy of point defects by measuring the transition…
Crystal lattice structure is present in stellar compact objects, such as white dwarf stars and in the crust of neutron stars. These structures can be described by a body-centered cubic crystal, which is formed by ions due to Coulombian…
We investigate the properties of a linear ion crystal in a combination of quadratic and quartic potentials. Both the discrete and the continuous model are employed to explore the homogeneity of a linear ion crystal by controlling the…
An Equation of State (\textit{EoS}) closes the set of fluid equations. Although an ideal EoS with a constant \textit{adiabatic index} $\Gamma$ is the preferred choice due to its simplistic implementation, many astrophysical fluid…
Within the framework of a functional integral formalism incorporating ionic charge and hard-core (HC) interactions on an equal footing, we formulate a unified theory of equilibrium thermodynamics and ion association in charged solutions.…
Perspectives for study of thermophysical properties via uniform quasi-stationary volumetric heating under Heavy Ion Beam (HIB) heating with moderate but realistic energy deposition (~ 1 kJ/g) are under discussion. New quasi-isobaric regime…
Atmospheric pressure helium plasmas are investigated through molecular dynamics simulations at room temperature (300 K) for various ionization fractions ($\chi_i = 10^{-1} - 10^{-5}$) in the strongly coupled regime (ion coupling parameter,…
The heliosphere is predominantly a partially ionized plasma that consists of electrons, ions and significant neutral atoms. Nonlinear interactions amongst these species take place through direct collision or charge exchange processes. These…
Electromagnetic particle simulation model has been formulated and verified for nonlinear processes of lower hybrid (LH) waves in fusion plasmas. Electron dynamics is described by the drift kinetic equation using either kinetic momentum or…
We give an explicit formula for the membrane potential of cells in terms of the intracellular and extracellular ionic concentrations, and derive equations for the ionic currents that flow through channels, exchangers and electrogenic pumps.…
Ionic liquids constrained at interfaces or restricted in subnanometric pores are increasingly employed in modern technologies, including energy applications. Understanding the details of their behavior in these conditions is therefore…
The paper presents a theoretical work on the dynamics of Coulomb explosion for spherical nanoplasmas composed by two different ion species. Particular attention has been dedicated to study the energy spectra of the ions with the larger…
We introduce a simple and efficient model to describe the potential energy surface of lithium diffusing in a solid-state ionic conductor. First, we assume that the Li atoms are fully ionized and we neglect the weak dependence of the…
The phase stability and equilibria of carbon dioxide is investigated from 125 -- 325K and 1 -- 10,000 atm using extensive molecular dynamics (MD) simulations and the Two-Phase Thermodynamics (2PT) method. We devise a direct approach for…
Equation of state (EOS) describes the thermodynamic properties of substances. It has important applications in many fields such as power mechanics, geophysics, astrophysics, and detonation physics. Currently, most EOSs have been constructed…
We give a short review of hydrodynamic models at heavy ion collisions from the point of view of initial conditions, an equation of states (EoS) and freezeout process. Then we show our latest results of a combined fully three-dimensional…
We consider the simplest one-constant model, put forward by J. Ericksen, for nematic liquid crystals with variable degree of orientation. The equilibrium state is described by a director field $\mathbf{n}$ and its degree of orientation $s$,…
Employing simplified models in computer simulation is on the one hand often enforced by computer time limitations but on the other hand it offers insights into the molecular properties determining a given physical phenomenon. We employ this…
The departure from ideal gas behavior is described by several known equations of state (EoS), developed from a combination of theoretical considerations and experimental correlations. In this work a different approach is proposed, in which…