Non-equilibrium molecular dynamics study of heat transfer parameters in two-dimensional Yukawa systems under uniform magnetic field.

The present study explores the effect of a magnetic field on the thermal conductivity of two-dimensional (2D) Yukawa systems in a wide range of system parameters using the non-equilibrium molecular dynamic method (NEMD). We consider an external magnetic field with Ω = ω c / ω p ≤ 1 (with Ω being the ratio of the cyclotron frequency to plasma frequency) and the coupling parameter values in the range 1 ≤ Γ ≤ 100 (with Γ being the ratio of the Coulomb interaction energy at mean inter-particle distance to the thermal energy of particles). The results show that an external uniform magnetic field results in the reduction of the thermal conductivity at the considered values of the coupling parameter Γ . Additionally, we found that the effect of the magnetic field on thermal conduction is weaker at larger values of the system coupling parameter. To ensure that calculated results for the thermal conductivity are accurate and reliable, we performed a detailed investigation of the convergence of the results with respect to simulation parameters in NEMD with a strong external magnetic field. We believe that the presented results will serve as useful benchmark data for the theoretical models of (2D) Yukawa systems.

The use of ultrapure molecular hydrogen enriched with atomic hydrogen in apparatuses of artificial lung ventilation in the fight against virus COVID-19.

COVID-19 is a disease caused by the SARS-CoV virus. It stands for severe acute respiratory syndrome, which affects the lungs. The process of replication and progression of the COVID-19 virus causes the formation of an excessive amount of reactive oxygen species and inflammation. Many studies have been carried out that have demonstrated that hydrogen has strong anti-inflammatory properties. It reduces hypotension and other symptoms by reducing inflammation and oxidative stress. Oxygen mixture, enriched with Hydrogen, - helps to reduce the resistance of the respiratory tract and frees up access to the pulmonary alveolus, which improves the penetration of oxygen into the lungs. Since hydrogen is an antioxidant, it helps to reduce the burden on the immune system, helps to maintain the body's health and its ability to quickly recover. When electrolysers are used to produce an oxygen-hydrogen mixture, alkaline mist and other impurities can enter the patient's lungs and cause poisoning and chemical burns. For this reason, the use of atomic hydrogen obtained from metal hydride sources for ventilation of the lungs will be more effective for treating COVID-19 than a molecular hydrogen-oxygen mixture from an electrolyzer. A functional diagram of a metal hydride source of atomic hydrogen to an artificial lung ventilator is shown. It is possible to create a series of hydrogen storage tanks of various capacities.

Shear viscosity in two-dimensional dipole systems.

The results of modeling shear flows in classical two-dimensional (2D) dipole systems are presented. We used the method of nonequilibrium molecular dynamics to calculate the viscosity at various shear rates. The coefficients of shear viscosity are given in the limit of low shear rates for various regimes of interparticle correlation from a weakly correlated gaseous state to a strongly nonideal liquid state near the crystallization point. The calculations were carried out for bare (unscreened) dipole systems, as well as for dipole systems in a polarizable medium that provide screening of the dipole-dipole interaction. The effect of shear thinning in 2D dipole systems is reported for low values of the coupling parameter. In addition, it is shown that dipole systems can become both less and more viscous due to the presence of a screening medium, depending on the degree of interparticle correlation. The optimal simulation parameters are discussed within the framework of the method of nonequilibrium molecular dynamics for determining the shear viscosity of two-dimensional dipole systems. Moreover, we present a simple fitting curve which provides a universal scaling law for both bare dipole-dipole interaction and screened dipole-dipole interaction.

Melting, freezing, and dynamics of two-dimensional dipole systems in screening bulk media.

This paper reports on the molecular dynamics simulations of classical two-dimensional (2D) electric dipole systems. The properties of 2D systems with bare (nonscreened) and screened dipole-dipole interactions have been investigated. Based on the polygon construction method, we present simulation results on the phase transition, and we locate the melting and freezing points of 2D dipole systems in terms of a polygon disorder parameter, with the polygon disorder parameter being the sum of nontriangular polygon order parameters. It was found that the phase transition of the system occurs when the polygon disorder parameter has a value 0.165. This result was cross-checked by using both local and overall orientational order parameters. We also identified that the value of the average local orientational order parameter at the phase transition point is 0.67. These results are valid for the ordinary (bare) dipole-dipole interaction as well as the screened dipole-dipole interaction, and they are expected to be general for other 2D systems with repulsive pair interaction. We observed that both melting and freezing points shift to lower values of temperature due to screening. In the liquid state, the radial distribution function and polygon construction method show the loss of order in a structure as screening becomes more severe. Furthermore, the impact of screening on the system's collective excitation spectra and diffusive characteristics at liquid and solid states has been studied. Results show the decrease in the values of both longitudinal and transverse sound speeds and the emergence of anomalous superdiffusive motion in the liquid state due to screening.

Ion energy-loss characteristics and friction in a free-electron gas at warm dense matter and nonideal dense plasma conditions.

We investigate the energy-loss characteristics of an ion in warm dense matter (WDM) and dense plasmas concentrating on the influence of electronic correlations. The basis for our analysis is a recently developed ab initio quantum Monte Carlo- (QMC) based machine learning representation of the static local field correction (LFC) [Dornheim et al., J. Chem. Phys. 151, 194104 (2019)JCPSA60021-960610.1063/1.5123013], which provides an accurate description of the dynamical density response function of the electron gas at the considered parameters. We focus on the polarization-induced stopping power due to free electrons, the friction function, and the straggling rate. In addition, we compute the friction coefficient which constitutes a key quantity for the adequate Langevin dynamics simulation of ions. Considering typical experimental WDM parameters with partially degenerate electrons, we find that the friction coefficient is of the order of γ/ω_{pi}=0.01, where ω_{pi} is the ionic plasma frequency. This analysis is performed by comparing QMC-based data to results from the random-phase approximation (RPA), the Mermin dielectric function, and the Singwi-Tosi-Land-Sjölander (STLS) approximation. It is revealed that the widely used relaxation time approximation (Mermin dielectric function) has severe limitations regarding the description of the energy loss of ions in a correlated partially degenerate electrons gas. Moreover, by comparing QMC-based data with the results obtained using STLS, we find that the ion energy-loss properties are not sensitive to the inaccuracy of the static local field correction (LFC) at large wave numbers, k/k_{F}>2 (with k_{F} being the Fermi wave number), but that a correct description of the static LFC at k/k_{F}≲1.5 is important.

Dynamical structure factor of strongly coupled ions in a dense quantum plasma.

The dynamical structure factor (DSF) of strongly coupled ions in dense plasmas with partially and strongly degenerate electrons is investigated. The main focus is on the impact of electronic correlations (nonideality) on the ionic DSF. The latter is computed by carrying out molecular dynamics (MD) simulations with a screened ion-ion interaction potential. The electronic screening is taken into account by invoking the Singwi-Tosi-Land-Sjölander approximation, and it is compared to the MD simulation data obtained considering the electronic screening in the random phase approximation and using the Yukawa potential. We find that electronic correlations lead to lower values of the ion-acoustic mode frequencies and to an extension of the applicability limit with respect to the wave-number of a hydrodynamic description. Moreover, we show that even in the limit of weak electronic coupling, electronic correlations have a nonnegligible impact on the ionic longitudinal sound speed. Additionally, the applicability of the Yukawa potential with an adjustable screening parameter is discussed, which will be of interest, e.g., for the interpretation of experimental results for the ionic DSF of dense plasmas.

Self-diffusion in two-dimensional quasimagnetized rotating dusty plasmas.

The self-diffusion phenomenon in a two-dimensional dusty plasma at extremely strong (effective) magnetic fields is studied experimentally and by means of molecular dynamics simulations. In the experiment the high magnetic field is introduced by rotating the particle cloud and observing the particle trajectories in a corotating frame, which allows reaching effective magnetic fields up to 3000 T. The experimental results confirm the predictions of the simulations: (i) superdiffusive behavior is found at intermediate timescales and (ii) the dependence of the self-diffusion coefficient on the magnetic field is well reproduced.

Structural characteristics of strongly coupled ions in a dense quantum plasma.

The structural properties of strongly coupled ions in dense plasmas with moderately to strongly degenerate electrons are investigated in the framework of the one-component plasma model of ions interacting through a screened pair interaction potential. Special focus is put on the description of the electronic screening in the Singwi-Tosi-Land-Sjölander (STLS) approximation. Different cross-checks and analyses using ion potentials obtained from ground-state quantum Monte Carlo data, the random phase approximation (RPA), and existing analytical models are presented for the computation of the structural properties, such as the pair distribution and the static structure factor, of strongly coupled ions. The results are highly sensitive to the features of the screened pair interaction potential. This effect is particularly visible in the static structure factor. The applicability range of the screened potential computed from STLS is identified in terms of density and temperature of the electrons. It is demonstrated that at r_{s}>1, where r_{s} is the ratio of the mean interelectronic distance to the Bohr radius, electronic correlations beyond RPA have a nonnegligible effect on the structural properties. Additionally, the applicability of the hypernetted chain approximation for the calculation of the structural properties using the screened pair interaction potential is analyzed employing the effective coupling parameter approach.

Cage correlation and diffusion in strongly coupled three-dimensional Yukawa systems in magnetic fields.

The influence of an external homogeneous magnetic field on the quasilocalization of the particles-characterized quantitatively by cage correlation functions-in strongly coupled three-dimensional Yukawa systems is investigated via molecular dynamics computer simulations over a wide domain of the system parameters (coupling and screening strengths, and magnetic field). The caging time is found to be enhanced by the magnetic field B. The anisotropic migration of the particles in the presence of magnetic field is quantified via computing directional correlation functions, which indicate a more significant increase of localization in the direction perpendicular to B, while a moderate increase is also found along the B field lines. Associating the particles' escapes from the cages with jumps of a characteristic length, a connection is found with the diffusion process: the diffusion coefficients derived from the decay time of the directional correlation functions in both the directions perpendicular to and parallel with B are in very good agreement with respective diffusion coefficients values obtained from their usual computation based on the mean-squared displacement of the particles.

Multipole expansion in plasmas: Effective interaction potentials between compound particles.

In this paper, the multipole expansion method is used to determine effective interaction potentials between particles in both classical dusty plasma and dense quantum plasma. In particular, formulas for interactions of dipole-dipole and charge-dipole pairs in a classical nondegenerate plasma as well as in degenerate quantum and semiclassical plasmas were derived. The potentials describe interactions between atoms, atoms and charged particles, dust particles in the complex plasma, atoms and electrons in the degenerate plasma, and metals. Correctness of the results obtained from the multipole expansion is confirmed by their agreement with the results based on other methods of statistical physics and dielectric response function. It is shown that the method of multipole expansion can be used to derive effective interaction potentials of compound particles, if the effect of the medium on the potential of individual particles comprising compound particles is known.

Effective potentials of interactions and thermodynamic properties of a nonideal two-temperature dense plasma.

In this article a dense nonideal, nonisothermal plasma is considered. New effective screened interaction potentials taking into account quantum-mechanical diffraction and symmetry effects have been obtained. The effective potential of the ion-ion interaction in plasmas with a strongly coupled ion subsystem and semiclassical electron subsystem is presented. Based on the obtained effective potentials the analytical expressions for internal energy and the pressure of the considered plasma were obtained.

Dust-void formation in a dc glow discharge.

Experimental investigations of dusty plasma parameters of a dc glow discharge were performed in a vertically oriented discharge tube. Under certain conditions, dust-free regions (voids) were formed in the center of the dust particle clouds that levitated in the strong electric field of a stratified positive column. A model for radial distribution of dusty plasma parameters of a dc glow discharge in inert gases was developed. The behavior of void formation was investigated for different discharge conditions (type of gas, discharge pressure, and discharge current) and dust particle parameters (particle radii and particle total number). It was shown that it is the ion drag force radial component that leads to the formation of voids. Both experimental and calculated results show that the higher the discharge current the wider dust-free region (void). The calculations also show that more pronounced voids are formed for dust particles with larger radii and under lower gas pressures.

Effect of magnetic field on the velocity autocorrelation and the caging of particles in two-dimensional Yukawa liquids.

We investigate the effect of an external magnetic field on the velocity autocorrelation function and the "caging" of the particles in a two-dimensional strongly coupled Yukawa liquid, via numerical simulations. The influence of the coupling strength on the position of the dominant peak in the frequency spectrum of the velocity autocorrelation function confirms the onset of a joint effect of the magnetic field and strong correlations at high coupling. Our molecular dynamics simulations quantify the decorrelation of the particles' surroundings: the magnetic field is found to increase significantly the caging time, which reaches values well beyond the time scale of plasma oscillations. The observation of the increased caging time is in accordance with findings that the magnetic field decreases diffusion in similar systems.

Cluster virial expansion for the equation of state of partially ionized hydrogen plasma.

We study the contribution of electron-atom interaction to the equation of state for partially ionized hydrogen plasma using the cluster-virial expansion. We use the Beth-Uhlenbeck approach to calculate the second virial coefficient for the electron-atom (bound cluster) pair from the corresponding scattering phase shifts and binding energies. Experimental scattering cross-sections as well as phase shifts calculated on the basis of different pseudopotential models are used as an input for the Beth-Uhlenbeck formula. By including Pauli blocking and screening in the phase shift calculation, we generalize the cluster-virial expansion in order to cover also near solid density plasmas. We present results for the electron-atom contribution to the virial expansion and the corresponding equation of state, i.e. pressure, composition, and chemical potential as a function of density and temperature. These results are compared with semiempirical approaches to the thermodynamics of partially ionized plasmas. Avoiding any ill-founded input quantities, the Beth-Uhlenbeck second virial coefficient for the electron-atom interaction represents a benchmark for other, semiempirical approaches.