Related papers: An integral equation model for warm and hot dense …
Accurate modeling of the electronic structure of warm dense matter is a challenging problem whose solution would allow a better understanding of material properties like equation of state, opacity, and conductivity, with resulting…
The representation of cloud processes in weather and climate models is crucial for their feedback on atmospheric flows. Since there is no general macroscopic theory of clouds, the parameterization of clouds in corresponding simulation…
For the reliable analysis and modelling of astrophysical, laser-produced and fusion plasmas, atomic data are required for a number of parameters, including energy levels, radiative rates and electron impact excitation rates. Such data are…
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…
A surrogate model for particle-in-cell plasma simulations based on a graph neural network is presented. The graph is constructed in such a way as to enable the representation of electromagnetic fields on a fixed spatial grid. The model is…
Matter at extreme temperatures and pressures -- commonly known as warm dense matter (WDM) in the literature -- is ubiquitous throughout our Universe and occurs in a number of astrophysical objects such as giant planet interiors and brown…
One-dimensional steady-state plasma-field structures in overdense plasma are studied assuming that the electron temperature is uniform over plasma bulk and the ions are stationary. It is shown that there may exist solutions for electron…
We review thermodynamic limits and scaling limits of electronic structure models for condensed matter. We discuss several mathematical ways to implement these limits in three models of increasing chemical complexity and mathematical…
The simulation of vibrational energy transport and quantum thermodynamics with trapped ions requires good methods for the estimation of temperatures. One valuable tool for this purpose is based on the fit of dark resonances in the…
A subsystem approach for obtaining electron binding energies in the valence region and apply it to the case of halide ions (X$^-$, X = F-At) in water. This approach is based on electronic structure calculations combining the relativistic…
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.…
The electron density of a molecule or material has recently received major attention as a target quantity of machine-learning models. A natural choice to construct a model that yields transferable and linear-scaling predictions is to…
Using two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, we derive the equation of state of magnesium in the regime of warm dense matter, with densities ranging…
A model of the fluid nonlinear frequency shift of ion acoustic waves (IAWs) in multi-ion species plasmas is presented, which considers the effect of ion temperature. Because the thermal ion exists in plasmas in inertial confinement fusion…
Observational evidence in space and astrophysical plasmas with long collisional mean free path suggests that more massive charged particles may be preferentially heated. One possible mechanism for this is the turbulent cascade of energy…
It is generally accepted that the ion acoustic (IA) wave in plasmas containing ions and electrons with the same temperature is of minor importance due to strong damping of the wave by hot resonant ions. In this work it will be shown that…
The ion production in an ECRIS is modelled using a particle-in-cell Monte-Carlo collision code in a three-dimensional geometry. Only the heavy particles (ions and atoms) are tracked, with the electron density determined from the requirement…
Parameterized tight-binding models fit to first principles calculations can provide an efficient and accurate quantum mechanical method for predicting properties of molecules and solids. However, well-tested parameter sets are generally…
Magnetic reconnection and associated heating of ions and electrons in strongly magnetised, weakly collisional plasmas are studied by means of gyrokinetic simulations. It is shown that an appreciable amount of the released magnetic energy is…
Plasma diagnostics in magnetic confinement fusion plasmas by using visible spectrum strongly depends on the knowledge of fundamental atomic properties. A detailed collisional-radiative model of W$^{26+}$ ions has been constructed by…