Electric Microfield Distributions in Li + Plasma With Account of the Ion Structure

Abstract

The electric microfield distributions at the location of an ion have been calculated using a coupling parameter integration technique for Li + plasma proposed by Ortner et al. [4] and Molecular Dynamics simulations. Electric microfield distributions are studied in a frame of the Hellmann-Gurskii-Krasko pseudopotential model, taking into account the quantum-mechanical effects and the ion shell structure [34]. The screened Hellmann-GurskiiKrasko pseudopotential taking into account not only the quantum-mecanical effects, the ion shell structure but screening field effects has been derived by means of Bogoljubow method [40] and [42]. The screened pseudopotential is represented by a Fourier transform. For the Hellmann-Gurskii-Krasko pseudopotential model the results obtained for the microfield in the framework of the Ortner model are found in a good agreement with the Molecular Dynamics simulations.

Electric Microfield Distributions in Alkali Plasmas with Account of the Ion Structure in a Moderately Coupled Approximation

“…We will consider temperatures around 30000 K, where most of outer electrons are ionized, but the rest core electrons are still tightly bound. For the calculations of the EMD at a charged particle we need as an essential input quantity the pair distribution functions determined by the effective interactions of the plasma particles [1], [4]. In particular, the Deutsch [5] and the corrected Kelbg [6] potentials are frequently used.…”

“…High-temperatures alkali plasmas are widely applied in many technical projects [4]. For example, Li is an alkali metal of significant technological interest.…”

“…In order to correctly describe alkali plasmas at moderate temperatures one needs to take into account the ion structure. In the previous works [4], [7] we described the electron-ion and ion-ion Hellmann-Gurskii-Krasko (HGK) potentials [2] which takes into account the ion structure shown in the Figures 1a and c:…”

“…EMD are studied in a frame of the Hellmann-Gurskii-Krasko (HGK) pseudopotential model, taking into account the quantum-mechanical effects and the ion shell structure [2]. For determination of the radial distribution function the screened HGK pseudopotential in a moderately coupled approximation, based on a chain of Bogoljubow equations for the equilibrium distribution functions [3], taking into account not only the quantum-mechanical effects, the ion shell structure but screening field effects has been used [4]. The new expressions for the screened HGK potential have been derived.…”

The Application of the Cut-Off Coulomb Model Potential for the Calculation of Bound-Bound State Transitions

“…A candidate for the coupling of the MD code is LAMMPS, which is capable of simulating a large scale molecular dynamics simulations, and it also could include particular interaction potential as well as all relevant processes of interest not included in the initial code as an additional module. The broadening parameters could be calculated from average energy and particle distributions and their temporal distributions, or, as an iterative procedure, a more real plasma potential could be obtained [20,21,28,29]. In the former case, the solutions would not necessary to be described as a set of analytical functions.…”