Related papers: Ab initio simulation of complex dielectric functio…
We investigate the thermodynamical aspects of the Casimir effect in the case of plane parallel plates made of real metals. The thermal corrections to the Casimir force between real metals were recently computed by several authors using…
We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, by employing a wave-packet description that resolves the…
Atomistic spin model simulations are immensely useful in determining temperature dependent magnetic prop- erties, but are known to give the incorrect dependence of the magnetization on temperature compared to exper- iment owing to their…
A survey on the dynamical and thermodynamical properties of plasmas with strong Coulomb interactions in the quasi-classical density-temperature region is given. First the basic theoretical concepts describing nonideality are discussed. The…
We use machine learning models to predict ion density and electron temperature from visible emission spectra, in a high energy density pulsed-power-driven aluminum plasma, generated by an exploding wire array. Radiation transport…
Simulating warm dense matter that undergoes a wide range of temperatures and densities is challenging. Predictive theoretical models, such as quantum-mechanics-based first-principles molecular dynamics (FPMD), require a huge amount of…
This paper introduces a novel approach for automated estimation of plasma temperature and density using emission spectroscopy, integrating Bayesian inference with sophisticated physical models. We provide an in-depth examination of Bayesian…
The thermal properties of bulk copper are investigated by performing ab initio DFT and DFPT calculations and using the quasiharmonic approximation for the free energy. Using both the LDA and the GGA for the exchange-correlation potential,…
We propose an efficient scheme, which combines density functional theory (DFT) with deep potentials (DP), to systematically study the convergence issues of the computed electronic thermal conductivity of warm dense Al (2.7 g/cm$^3$,…
Time dependent numerical simulations of the K ALPHA complex of Fe XXV are carried out as a function of temperature/density/radiation field variations in high-temperature astrophysical and laboratory plasmas. In addition to several well…
The static electrical conductivity of non-ideal, dense, partially ionized helium plasma was calculated over a wide range of plasma parameters: temperatures $1\cdot 10^{4}\textrm{K} \lesssim T \lesssim 1\cdot 10^{5}\textrm{K}$ and mass…
We use molecular dynamics computer simulations to calculate the frequency dependence of the specific heat of a SiO_2 melt. The ions interact with the BKS potential and the simulations are done in the NVE ensemble. We find that the frequency…
Ab initio calculations based on the Density Functional Theory are used to show that the Debye frequency is a linear function of density to a high accuracy for several elemental solids at pressures (at least) up to 360 GPa. This implies that…
Understanding the temperature dependence of the optical properties of thin metal films is critical for designing practical devices for high temperature applications in a variety of research areas, including plasmonics and near-field…
Simulation of warm dense matter requires computational methods that capture both quantum and classical behavior efficiently under high-temperature, high-density conditions. Currently, density functional theory molecular dynamics is used to…
The work on a new fully variational model of average-atom in quantum plasmas using a numerical code called VAAQP is reported. A brief description of the code is given. Application to aluminium at solid density and temperatures between 0.05…
Calcium fluoride (fluorspar, CaF2 ) is of consummate importance for the manufacturing of optical components. In many cases, its wide transmission band eliminates the need for antireflective coatings. It is thus of interest to study its…
In non-ideal plasmas, the dielectric function has to be treated beyond the random phase approximation. Correlations and well as collisions have to be included. These corrections are known as (dynamical) local field corrections. With the…
We propose to measure the surface charge accumulating at the interface between a plasma and a dielectric by infrared spectroscopy using the dielectric as a multi-internal reflection element. The surplus charge leads to an attenuation of the…
Laser ablation is often explained by a two-temperature model (TTM) with different electron and lattice temperatures. To realize a classical molecular dynamics simulation of the TTM, we propose an extension of the embedded atom method to…