A Model of Calculating Radiative Opacities of Hot Dense Plasmas Based on the Density-Functional Theory

We determine the radiative opacity of plasmas in a local thermal equilibrium (LTE) by time-dependent density-functional theory (TDDFT) including autoionization resonances, where the photoabsorption cross section is calculated for an ion embedded in the plasma using the detailed configuration accounting (DCA) method. The abundance of ion with integer occupation numbers is determined by means of the finite temperature density-functional theory (FTDFT). For an Al plasma of temperature T=20 eV and density 0.01 g/cm3, we show the opacity and the photoabsorption cross section of b-f and b-b transitions with Doppler and Stark width, and also show a result that the Planck and Rosseland mean opacities are 28,348 cm2/g and 4,279 cm2/g, respectively.

KLL Dielectronic Recombination of Highly Charged Sulfur and Silicon Ions

Dielectronic recombination measurements for highly charged ions were performed at the Stockholm refrigerated electron beam ion trap. We have obtained KLL DR resonance strengths for highly charged H- and He-like sulfur and silicon ions. The experimental results are compared with the theoretical data obtained from GRASP II code. Both the experimental and calculated results agree well within the experimental error bars. Moreover, the dielectronic recombination resonance strengths are used to obtain the new scaling parameters by incorporating our results with the previous measurements and to check the behaviour of scaling formula for H- and He-like isoelectronic sequences.

Correlated Relation between Quantum Discord and Entanglement of Two-Atom in Thermal Reservoirs

We study the time evolution of quantum discord and entanglement of a two-qubit system in thermal reservoirs. We find that there are no simple ordering relations between entanglement and quantum discord for the dynamical evolution behavior; that is, quantum discord may be smaller or larger than entanglement in the evolution process. However, a strong correlation between changes of the ordering relations and the mean photon number is found. In addition, it also shows that entanglement is not the strongest form of nonclassicality.

Study of Complexation in Acetone-Chloroform Mixtures by Infrared Spectroscopy

FTIR spectra of acetone-chloroform system with various component ratios were investigated within the spectral range 3950–4550 cm−1. Methods of multivariate curve resolution were applied to decompose the FTIR spectra into specific components of different composition. A method of decomposition based on structural model of solution which contains acetone, chloroform, and complex acetone/chloroform (1 : 1) was proposed. Results of both approaches are in good agreement within the range of measuring error.

Optical Emission Spectroscopic Analysis of Plasma Plume during Pulsed Laser Deposition of PZT

Spatial variation in intensity of spectral emission, electron temperature, number density, and the time of flight (TOF) of ions and neutrals at various oxygen ambiances has been investigated on ferroelectric lead zirconium titanate (PZT) plasma using optical emission spectroscopy. Plasma produced by ablating PZT ceramic target using Nd-YAG laser operating at the third harmonics (λ=355 nm, τ=10 ns, repetition frequency 10 Hz) was investigated at various oxygen partial pressures and at various distances from the target surface. Here energy density for laser fluence was fixed as 3.13 Jcm−2 and distance from the target and ambient gas pressure were varied. The electron number density Ne and electron temperature of the PZT plasma at the early stage of plume expansion were measured as 1.7×1017 Jcm−2 and 13200 K, respectively, and thus verified the existence of local thermodynamic equilibrium (LTE). Time of flight spectra (TOF) of neutral and singly ionized species in plasma were recorded. The result shows that plasma parameters and velocity of species are of same order for various oxygen partial pressures but have a decreasing tendency with distance. The energy of almost all species in the plume become more or less same at 0.1 mbar. These conditions favour the growth of perovskite PZT thin films.

Forbidden Transitions in the Ground State Configuration of Doubly Ionized Argon

We have calculated forbidden transitions (M1 and E2) between fine structure levels in the ground state configuration 3s23p4 of doubly ionized argon (Ar III) using the multiconfiguration Hartree-Fock approach within the framework of the Breit-Pauli Hamiltonian. The data for the analysis of forbidden lines in the spectrum is important for the study of the plasma in astrophysical objects and fusion devices. The results obtained from this work have been compared with other results available in the literature.

A Parallelization Scheme for New DPD-B Thermostats

This paper presents the MPI parallelization of a new algorithm—DPD-B thermostat—for molecular dynamics simulations. The presented results are using Martini Coarse Grained Water System. It should be taken into account that molecular dynamics simulations are time consuming. In some cases the running time varies from days to weeks and even months. Therefore, parallelization is one solution for reducing the execution time. The paper describes the new algorithm, the main characteristics of the MPI parallelization of the new algorithm, and the simulation performances.

Electron-Pair Densities with Time-Dependent Quantum Monte Carlo

We use sets of de Broglie-Bohm trajectories to describe the quantum correlation effects which take place between the electrons in helium atom due to exchange and Coulomb interactions. A short-range screening of the Coulomb potential is used to modify the repulsion between the same spin electrons in physical space in order to comply with Pauli's exclusion principle. By calculating the electron-pair density for orthohelium, we found that the shape of the exchange hole can be controlled uniquely by a simple screening parameter. For parahelium the interelectronic distance, hence the Coulomb hole, results from the combined action of the Coulomb repulsion and the nonlocal quantum correlations. In this way, a robust and self-interaction-free approach is presented to find both the ground state and the time evolution of nonrelativistic quantum systems.

Multispark Discharge in Water as a Method of Environmental Sustainability Problems Solution

Multispark discharge excited in water is described, and its useful physical and chemical properties are discussed in the light of some environmental issues. Discharge of such a type generates hot and dense plasmoids producing intense biologically active UV radiation and chemically active radicals, atoms, and molecules. Simultaneously, discharge creates strong hydrodynamic perturbations and cavitation bubbles. Particular attention is given to factors influencing on water purity with special reference to discharge application for effective sterilization of water and its cleaning of harmful chemicals. The gas discharges of this type show considerable promise as a means for solving some actual plasma-chemical problems. The above-mentioned discharge properties have been demonstrated in a series of laboratory experiments, which proved the efficiency of disinfection of potable and waste water, water cleaning of pesticide (herbicide) contaminations, and conversion (recovery) of natural methane.