Gas Atoms Research Articles

Energy and mass transport properties in the near-cathode region of atmospheric thermal plasma

As the main region where charged particles are accelerated by the electric field and accumulated near the cathode, the near-cathode region has significant non-local equilibrium characteristics and plays a crucial role in exploring the energy and mass transport properties of the thermal plasma from the arc column region to the hot cathode surface. However, there is a lack of universally adopted models and accepted theories for the study of the near-cathode region due to the complexity of the physical mechanisms involved in the sheath. According to the physical characteristics of the arc discharge, an external circuit is usually used to regulate the total current applied to the electrodes to maintain stable discharge. Therefore, the energy and mass transport properties of atmospheric thermal plasma driven by a current source coupled to an external circuit are investigated in this work to explore the transport mechanism of charged particles in the near-cathode region based on an implicit particle-in-cell Monte Carlo collision method. Firstly, the current-driven model in this work is compared with the present voltage-driven model and fluid model to verify the correctness of this model. Then, the collisions between charged particles and gas atoms inside the sheath are analyzed, and the spatial distributions of particle current density and particle heating rate inside the sheath are also studied. Finally, the variations of typical parameters of thermal particles under different current densities (106–107 A m−2) are analyzed, including maximum particle number density, maximum particle spatially-averaged temperature, sheath thickness, charge density and electric field strength in the cathode.

Application of laser radiation for control of RADAN compact pulse generator

This paper presents the results of experimental and theoretical investigations of a plasma jet formed by YAG: Nd3+ laser radiation on an anode in a high-voltage gas gap. Conditions corresponding to the minimal instability of 0.3 ns and delay were experimentally found. The physical mechanisms determining the delay of the gas gap overlap by the plasma jet and the obtained instability level are discussed. A model of processes occurring on the ionization wavefront determined by the absorption/excitation of gas atoms and by the effects of a high-field domain was proposed.

Photoionization cross-sections of valence ns and np (n = 2,3) atomic shells in soft x-ray region

Theoretical photoionization cross-sections for average of configuration terms of valence ns- and np- shells of atoms C, N, O, F, Ne, Si, P, S, Cl and Ar are calculated with account for intrachannel and interchannel interactions for the energy region from threshold to 400 eV. The many-electron effects were accounted for within the framework of RPAE (random phase approximation with exchange) method, which is extended for average terms of unfilled shells. Calculations demonstrate for open-shell atoms similar effects as that were known for noble gas atoms Ne and Ar, namely a strong decrease of photoionization cross-sections of ns- subshell due to the interaction of transitions ns→εp and np→εd.

Effect of grain size on gas bubble evolution in nuclear fuel: Phase-field investigations

Numerous irradiation-induced gas bubbles are created in the nuclear fuel during irradiation, leading to the change of microstructure and the degradation of mechanical and thermal properties. The grain size of fuel is one of the important factors affecting bubble evolution. In current study, we first predict the thermodynamic behaviors of point defects as well as the interplay between vacancy and gas atom in both UO2 and U3Si2 according to ab initio approach. Then, we establish the irradiation-induced bubble phase-field model to investigate the formation and evolution of intra- and inter-granular gas bubbles. The effects of fission rate and temperature on the evolutions of bubble morphologies in UO2 and U3Si2 have been revealed. Especially, a comparison of porosities under different grain sizes is examined and analyzed. To understand the thermal conductivity as functions of grain size and porosity, the heat transfer capability of U3Si2 is evaluated.

Ab initio interaction potentials of alkali metal (M = Na and K)–rare gas (Rg = He, Ne, Ar, Kr, Xe and Rn) complexes

Spectroscopic properties and potential energy curves of alkali metal (M = Na and K) – rare gas (Rg = He, Ne, Ar, Kr, Xe and Rn) van der Waals molecules in their ground states have been studied in detail using spin-restricted open-shell coupled cluster with single and double excitations and perturbative contribution of connected triple excitations (RCCSD(T)) methods. The core-valence correlation (CV) effect was found to be crucial for M-RG molecules containing heavy rare gas atoms. The electronic energies were corrected for the basis set superposition error (BSSE) using the counterpoise method. Energies were extrapolated to the complete basis set (CBS) limit using a two-point scheme. The permanent electric dipole moments, static electric dipole polarizabilities and long-range dispersion coefficients were also calculated. The computed spectroscopic constants, vibrational levels and rotational constants were reported for M-RG and good agreement with the available experimental and theoretical values were found.

Many-body theory calculations of positron scattering and annihilation in noble-gas atoms via the solution of Bethe–Salpeter equations using the Gaussian-basis code EXCITON+

Scattering phase shifts and annihilation rates for low-energy positrons interacting with noble gas atoms are calculated ab initio using many-body theory implemented in the Gaussian-orbital code EXCITON+. Specifically, we construct the positron–atom correlation potential (self-energy) as the sum of three classes of infinite series describing the screened polarization, virtual positronium formation, and positron-hole repulsion found via the solution of Bethe–Salpeter equations for the two-particle propagators. The normalization of the continuum states is determined using the shifted pseudostates method [A. R. Swann and G. F. Gribakin, Phys. Rev. A 101, 022702 (2020)]. Comparison with the previous sophisticated B-spline many-body approach, which is restricted to atoms [J. Ludlow, D. G. Green, and G. F. Gribakin, Phys. Rev. A 90, 032712 (2014)], validates the EXCITON+ code, which can be used for multicentered targets including molecules, clusters, and condensed matter. Moreover, the relative effects of higher-order diagrams are quantified. It is found that the screening of the electron–positron Coulomb interaction represented by the infinite ring-diagram series (random-phase approximation) is compensated effectively by the additional electron-hole attraction corrections to it (the Bethe–Salpeter equation approximation) and that the use of the screened Coulomb interaction (screened at BSE level) in place of the bare Coulomb interaction in the virtual positronium and positron-hole ladder diagrams has negligible effect on both the phase shifts and Zeff. Our scattering length for Ne and Kr is in improved agreement with the convergent close-coupling result, and for Ar, the scattering length is in better agreement with the experiment compared with the previous B-spline many-body approach.

Effect of Different sp2 Bond Contents on the Reactivity and Mechanical Properties of Coke Carbon: A ReaxFF Molecular Dynamics Study.

In this study, ReaxFF-MD was used to construct a large-molecule model of coke containing 3000 atoms, and the sp2 bond content of the model was controlled by changing the heating and cooling rates. The increase of the sp2 bond content led to a significant difference in the reactivity of coke. The presence of the sp2 bond caused the carbon atoms inside the coke to change into a circular structure, making it more difficult for the gaseous atoms to adsorb on the surface of the coke. It significantly reduced the gasification reaction rate of coke in the CO2 and H2O atmospheres. In the tensile simulation experiment, it was found that the stretching process of coke was mainly divided into three stages: an elastic stretching stage, a plastic stretching stage, and a model fracture stage. During the stretching process, the carbon ring structure would undergo a C-C bond fracture while generating carbon chains to resist stress. The results indicated that the presence of sp2 bonds can effectively reduce the phenomenon of excessive local stress on coke to improve its tensile resistance. The method developed in this paper may provide further ideas and platforms for the research on coke performance.

Adsorption of noble fission gas atoms Xe and Kr on Ti- and V-based bare MXenes: An ab-initio DFT investigation

We have studied the adsorption of noble fission gas atoms Xe and Kr on early 3d metal carbide and nitride MXenes, i.e., M2X (M=Ti, V; X= C, N) by performing van der Waals corrected density functional based simulations. These results show that the adsorption of Xe and Kr is stable on all the MXene surfaces considered in this work. For Ti2C, the binding energies and adsorption distances of Xe and Kr are comparable to other 2D materials such as graphene. The replacement of C with N in Ti-based MXene (Ti2N) results in a marginal improvement in the binding strength. In contrast, a noticeable increase in the binding energy is observed for V2X, accompanied by reduction in adsorption distance. It is further demonstrated that the marked increase in Xe/Kr binding energy on V2X as compared to Ti2X is a consequence of much stronger interfacial interaction for the former, highlighted by much larger charge density overlap within the interface region. Moreover, V2X surface increases the selective adsorption of Xe over Kr as indicated by enhanced binding energy difference between Xe and Kr. Further, the adsorption of Xe on oxygen terminated V2C (V2CO2) is also studied which showed that the binding strength reduces by ∼ 0.06 eV due to full oxygen termination. Overall, these results underscore V2X as an efficient Adsorptive material of noble fission gas atoms in comparison to previously studied 2D materials.

Magnetized dusty plasma: On issues of its complexity and magnetization of charged dust particles

AbstractIt is possible to excite various linear and nonlinear low‐frequency modes in dusty plasma, which is an admixture of electrons, ions, gas atoms, and negatively charged solid particles. The experimental as well as theoretical study of these low‐frequency dynamical modes in dusty plasma is very complex because of the involvement of dynamics of electrons, ions, and neutrals. If the external magnetic field is introduced to dusty plasma, then the dynamics of it will be more complex. The complexity of magnetized dusty plasma where plasma species (electrons and ions) are magnetized is discussed in detail by keeping the experimental findings in mind. The requirement of theoretical modeling, as well as computation experiments in understanding the dynamics of dusty plasma in the presence of a strong magnetic field, is suggested in the context of experimental findings. The major challenges to magnetizing the massive charged particles in plasma experiments and some proposed solutions are discussed in this review report.

Flavor Symmetry of Hydrogen Atoms Potentially Affecting the Proton Radius Deduced from the Electron-Hydrogen Scattering

Precise knowledge of such fundamental quantity as the proton charge radius rp is extremely important both for the quantum chromodynamics (for quark-gluon structure) and for atomic physics (for atomic hydrogen spectroscopy). Yet the ambiguity in measuring rp persists for over a dozen of years by now—from the time when in 2010 the muonic hydrogen spectroscopy experiment yielded rp ≈ 0.84 fm in contrast to the form factor experiment by the Mainz group that produced rp ≈ 0.88 fm. Important was that this difference corresponded to about seven standard deviations and therefore was inexplicable. In the intervening dozen of years, more experiments of various kinds were performed in this regard. Nevertheless, the controversy remains, which is why several different types of new experiments are being prepared for measuring rp. In one of our previous papers, we pointed out the factor that was never taken into account by the corresponding research community: the flavor symmetry of electronic hydrogen atoms, whose existence was confirmed by four kinds of atomic or molecular experiments and also evidenced by two kinds of astrophysical observations. Specifically, in that paper there was discussed the possible presence of the second flavor of muonic hydrogen atoms (in the corresponding experimental gas) and its effect on the shift of the ground state of muonic hydrogen atoms due to the proton finite size. In the present paper we analyze the effect of the flavor symmetry of electronic hydrogen atoms on the corresponding elastic scattering cross-section and on the proton charge radius rp deduced from the cross-section. As an example, we use our analytical results for reconciling two distinct values of rp obtained in different elastic scattering experiments: 0.88 fm and 0.84 fm (which is by about 4.5% smaller than 0.88 fm). We show that if the ratio of the second flavor of hydrogen atoms to the usual hydrogen atoms in the experimental gas would be about 0.3, then the extraction of rp from the corresponding cross-section would yield by about 4.5% smaller value of rp compared to its true value. We also derive the corresponding general formulas that can be used for interpreting the future electronic and muonic experiments.

Accelerated neutral atom beam (ANAB) and gas clustered ion beam (GCIB) treatment of implantable device polymers leads to decreased bacterial attachment in vitro and decreased inflammation in vivo

Accelerated neutral atom beam (ANAB) and gas clustered ion beam (GCIB) treatment of implantable device polymers leads to decreased bacterial attachment in vitro and decreased inflammation in vivo

Influence of Electron Collisions on Electromagnetic Modes of Plasma Produced by Multi-Photon Ionization of an Inert Gas

Collective electromagnetic modes in weakly ionized plasma formed by multiphoton ionization of inert gas atoms, in which the Ramsauer–Townsend effect takes place, are studied. It is shown that at a relatively low energy of photoelectrons of the order of 1 eV, typical for multiphoton ionization, amplification of electromagnetic waves is possible. Amplification is possible both in the case of rare collisions of photoelectrons with neutral atoms and for collision frequencies higher than electron plasma frequency. At photoelectron energies somewhat higher than 1 eV, aperiodic instability can develop with growth rate whose value is comparable to electron plasma frequency. Detailed analytical and numerical analysis of the effect of collisions of photoelectrons with neutral atoms on the dispersion law of electromagnetic wave and the growth rates of instabilities is presented.

Experimental investigation of electron-mercury atom collisions: insights into atomic interaction dynamics

This experiment aims to validate the Bohr’s model, which posits the existence of discrete energy levels within Hg and Ne atoms, through the Frank-Hertz experimental methodology. Utilizing two specialized tubes, one containing Neon gas and the other Mercury gas, electrons are accelerated to collide with the gas atoms. As the applied voltage is gradually increased, a distinct min-max pattern emerges on the current-voltage graph, with the equidistant minima and maxima, indicating the quantization of atomic energy levels, a phenomenon predicted by Bohr’s model. The experimentally determined distance between these peaks correlates with the energy required to excite the respective gas atoms to a higher energy state. The measured excitation energies – 16.58±2.36 eV for neon and 4.90±0.12 eV for mercury – align closely with the widely accepted energy levels for these atoms. These findings not only corroborate the quantized nature of atomic properties but also reinforce the validity of Bohr’s atomic model.

Flying characterization of colliding partners by hyperfine splitting frequency of neutral paramagnetic atoms.

The pseudopotentials and dispersion potentials are applied to a theoretical study of the hyperfine splitting frequencies of the ground-state paramagnetic hydrogen (H) and alkali-metal (Li, Na, K, Rb, and Cs) atoms in noble gases (He, Ne, Ar, Kr, and Xe). Using classical turning points for statistical averages, we find that numerical calculations based on second-order perturbation theory fit the measured frequency shifts well over a wide temperature range. The characteristic energy, pseudopotential height, and electric-dipole polarizability allow us to consistently determine the van der Waals radii and electron scattering lengths of noble-gas atoms. This study shows that the hyperfine splitting frequency of alkali-metal atoms is a good measure for investigating colliding partners.

Scattering of Positive Muons by Atoms of Inert Gases

Scattering of Positive Muons by Atoms of Inert Gases

Interaction Study of Energetic Protons and Electrons with the Vacuum Ultra Violet Source used in the Complex Irradiation Facility

Context: One important factor to be considered for space missions is the radiation environment. It is composed of energetic particles, such as protons, electrons and ions, and electromagnetic radiation, photons ranging from Vacuum Ultra Violet (VUV) to Far Infrared (FIR). Each of these radiation sources have an unique energy spectrum that further depends on the location inside the solar system, e. g. Earth orbits or interplanetary space.For material qualification and material engineering, individual irradiation is considered and their effects are superimposed. However, effects occurring when two and more radiation types simultaneously are present have barely been investigated yet. Further complexity is added, when additional interactions take place due to laboratory hardware. Aims: This publication reports on the efforts made to analyse and measure the interaction of a VUV and corpuscular radiation sources. The aim is to quantify the deviations due to interactions and conclude consequences for the simultaneous operation of these radiation sources. Methods: In order to quantify the effects, the Complex Irradiation Facility (CIF), located at the DLR Bremen has been used. It connects proton and electron accelerators together with VUV and UV light sources to an ultra high vacuum chamber. The corpuscular and VUV radiation sources have been operated simultaneously. The reaction of the operation parameters, such as current measured with Faraday Cups (FC) has been tracked and post-processed. Results: It has been discovered, that protons considerably interact with the gas mixture used to operate the VUV source. This interaction decreases for higher beam intensities of the corpuscular irradiation. It was found, that this is likely due to protons ionizing gas atoms which are then measured by the FC as current. For electrons, this phenomena was not observed due to their smaller stopping power. The discovery restricts the acceleration factor of the CIF for proton together with VUV irradiation, but does not necessarily limit the range of application of the CIF depending on the requirements of the material and/or qualification test. Energy range of electrons stays unrestricted.

Structural evolution of in-plane hybrid graphene/hexagonal boron nitride heterostructure upon heating

In-plane hybrid graphene/hexagonal boron nitride (h-BN) heterostructure (graphene/hBN/graphene) is studied via molecular dynamics simulation. The initial configuration (6400-atom graphene/6200-atom h-BN/6400-atom graphene) is heated up from 50 K to 7500 K via Tersoff potential. To study the structural evolution, some thermal dynamics quantities are calculated such as the coordination number, the total energy per atom, the heat capacity, the angular distribution, and the distribution of rings. Some main results are calculated and presented as follows: i) The sudden increase of total energy per atom at the melting point (5500 K) exhibits the first order phase transition from the crystalline state to a liquid state of the hybrid graphene/h-BN/graphene heterostructure; ii) The heat capacity shows two peaks. The first peak (at 5500 K) represents the phase transition from the crystalline to a liquid states while the second one (at 6300 K) represents the formation of gaseous atoms of B and N in the h-BN sheet; iii) The coordination number of three decreases dramatically at temperature of 5500 K (about 10% lefts for each type of atoms) leading to the formation of the first peak in the graph of the heat capacity. The coordination number of zero for B and N in the h-BN layer increases significantly (over 55%) at 6300 K causing the formation of the second peak in the graph of the heat capacity; iv) The influence of the relative number of atoms of h-BN to graphene in the hybrid graphene/h-BN/graphene heterostructure on the structural evolution upon heating is considered as follows. The number of atoms in the graphene sheets remains constant (6400 atoms per sheet) while the one of the h-BN sheet varies in size (780, 1560, 3120, 4680, 5490, 5880, 6080, and 6200 atoms). The results show that although the phase transition is still the first order type, the phase transition temperature decreases as the size of the h-BN layer in the hybrid heterostructure increases.

Modified saddle-point method applied to direct ionization of noble gas atoms

When exposed to strong laser fields, atoms or molecules can absorb more photons from the laser field than is necessary for ionization. This process is called above-threshold ionization (ATI). In analyzing this process, the strong-field approximation (SFA) turns out to be a very useful theoretical tool. In the SFA the differential ionization rate, which is an observable quantity, can be expressed as an integral over the ionization time and can be calculated by numerical integration (NI) or using the saddle-point method (SPM). When we use the Slater orbitals to describe the ground-state wave function of the valence electron, the results obtained using the SPM and NI do not agree. We find the reasons for this disagreement and introduce a modified SPM that leads to excellent agreement between the SPM and NI results for various strong laser fields.

Polarization control of RABBITT in noble gas atoms

The mutual angle formed by the non-collinear polarization axes of two laser pulses is used to control two-photon extreme ultraviolet and infrared ionization of noble gas atoms in the process of reconstruction of attosecond bursts by beating of two-photon transitions (RABBITT). The magnitude and the phase of this beating can be controlled very efficiently by the mutual polarization angle. The mechanism of this control can be understood within the lowest order perturbation theory and the soft photon approximation. We offer a very sensitive test on the polarization control of the angular dependent RABBITT process which validates our numerical simulations. We apply this test to the recent theoretical and experimental results of polarization controlled RABBITT on hydrogen and helium by Boll et al (2023 Phys. Rev. A 107 043113) and heavier noble gases by Jiang et al (2022 Nat. Commun. 13 5072).

On the role of chemisorption in the formation of the target surface compound layer during reactive magnetron sputtering

Modeling of the reactive sputter processes requires a description of the target processes which results in the formation of a compound layer on the target. The sputter removal of the formed compound is balanced by compound formation mechanisms. Chemisorption of reactive gas atoms and molecules was initially identified as one of these processes. Further improvement of these chemisorption based models was achieved by the inclusion of processes such direct reactive ion implantation, knock-on implantation of chemisorbed species, and the redeposition of sputtered material on the target. In a recent study, the importance of ion implantation was questioned and an alternative model proposed. The results of this model are confronted with existing literature to investigate its validity.