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Phase Resolved Optical Emission Spectroscopy (PROES) measurements combined with 1d3v Particle-in-Cell/Monte Carlo Collisions (PIC/MCC) simulations are used to study the electron power absorption and excitation/ionization dynamics in capacitively coupled plasmas (CCPs) in mixtures of neon and oxygen gases. The study is performed for a geometrically symmetric CCP reactor with a gap length of 2.5 cm at a driving frequency of 10~MHz and a peak-to-peak voltage of 350 V. The pressure of the gas mixture is varied between 15 Pa and 500 Pa, while the neon/oxygen concentration is tuned between 10% and 90%. For all discharge conditions, the spatio-temporal distribution of the electron-impact excitation rate from the Ne ground state into the Ne $\rm{2p^53p_0}$ state measured by PROES and obtained from PIC/MCC simulations show good qualitative agreement. Based on the emission/excitation patterns, multiple operation regimes are identified. Localized bright emission features at the bulk boundaries, caused by local maxima in the electronegativity are found at high pressures and high O$_2$ concentrations. The relative contributions of the ambipolar and the Ohmic electron power absorption are found to vary strongly with the discharge parameters: the Ohmic power absorption is enhanced by both the high collisionality at high pressures and the high electronegativity at low pressures. In the wide parameter regime covered in this study, the PROES measurements are found to accurately represent the ionization dynamics, i.e., the discharge operation mode. This work represents also a successful experimental validation of the discharge model developed for neon-oxygen CCPs., Comment: 34 pages, 16 figures

In this work, we analyze the creation of the discharge asymmetry and the concomitant formation of the DC self-bias voltage in capacitively coupled radio frequency plasmas driven by multi-frequency waveforms, as a function of the electrode surface characteristics. For this latter, we consider and vary the coefficients that characterize the elastic reflection of the electrons from the surfaces and the ion-induced secondary electron yield. Our investigations are based on Particle-in-Cell/Monte Carlo Collision simulations of the plasma and on a model that aids the understanding of the computational results. Electron reflection from the electrodes is found to affect slightly the discharge asymmetry in the presence of multi-frequency excitation, whereas secondary electrons cause distinct changes to the asymmetry of the plasma as a function of the phase angle between the harmonics of the driving voltage waveform and as a function the number of these harmonics.

The relaxation of the distribution function of the electrons drifting under the influence of a homogeneous electric field in noble gases is known to take place over an extended spatial domain at `intermediate' values of the reduced electric field, $E/N$. We investigate the transport of electrons in Ar and N$_2$ gases, as well as in their mixtures at such $E/N$ values ($\sim$ 10-40 Td). After discussing briefly the basic scenario of relaxation in a homogeneous electric field, the major part of work concentrates on the properties of transport in an electric field that is spatially modulated within a finite region that obeys periodic boundaries. The spatial distribution of the mean velocity, the mean energy, and the density of the electrons, the importance of the excitation channels, as well as the electron energy distribution function are obtained from Monte Carlo simulations for various lengths of the computational domain, at different mean values and degrees of modulation of the reduced electric field. At low modulations, the spatial profiles of the mean velocity and mean energy are nearly harmonic, however their phases with respect to the electric field perturbation exhibit a complex behaviour as a function of the parameters. With increasing modulation, an increasing higher harmonic content of these profiles is observed and at high modulations where an electric field reversal occurs, we observe trapping of a significant population of the electrons. The effect of mixing a molecular gas, N$_2$, to Ar on the transport characteristics is also examined. Transition to local transport at high N$_2$ admixture concentrations and long spatial domains is observed.

This work presents swarm parameters of electrons (the bulk drift velocity, the bulk longitudinal component of the diffusion tensor, and the effective ionization frequency) in C$_2$H$_n$, with $n =$ 2, 4 and 6, measured in a scanning drift tube apparatus under time-of-flight conditions over a wide range of the reduced electric field, 1 Td $\leq\,E/N\,\leq$ 1790 Td (1 Td = $10^{-21}$ Vm$^2$). The effective steady-state Townsend ionization coefficient is also derived from the experimental data. A kinetic simulation of the experimental drift cell allows estimating the uncertainties introduced in the data acquisition procedure and provides a correction factor to each of the measured swarm parameters. These parameters are compared to results of previous experimental studies, as well as to results of various kinetic swarm calculations: solutions of the electron Boltzmann equation under different approximations (multiterm and density gradient expansions) and Monte Carlo simulations. The experimental data are consistent with most of the swarm parameters obtained in earlier studies. In the case of C$_2$H$_2$, the swarm calculations show that the thermally excited vibrational population should not be neglected, in particular, in the fitting of cross sections to swarm results., Comment: 30 pages, 11 figures

We investigate via Molecular Dynamics simulations the propagation of solitons in a two-dimensional many-body system characterized by Yukawa interaction potential. The solitons are created in an equilibrated system by the application of electric field pulses. Such pulses generate pairs of solitons, which are characterized by a positive and negative density peak, respectively, and which propagate into opposite directions. At small perturbation, the features propagate with the longitudinal sound speed, form which an increasing deviation is found at higher density perturbations. An external magnetic field is found to block the propagation of the solitons, which can, however, be released upon the termination of the magnetic field and can propagate further into directions that depend on the time of trapping and the magnetic field strength.

We investigate the spatially and temporally resolved electron kinetics in a homogeneous electric field in argon gas, in the vicinity of an emitting boundary. This (transient) region, where the electron swarm exhibits non-equilibrium character with energy gain and loss processes taking place at separate positions (in space and time), is monitored experimentally in a scanning drift tube apparatus. Depending on the strength of the reduced electric field we observe the equilibration of the swarm over different length scales, beyond which the energy gain and loss mechanism becomes locally balanced and transport properties become spatially invariant. The evolution of the electron swarm in the experimental apparatus is also described by Monte Carlo simulations, of which the results are in good agreement with the experimental observations, over the domains of the reduced electric field and the gas pressure covered.

This work presents transport coefficients of electrons (bulk drift velocity, longitudinal diffusion coefficient, and effective ionization frequency) in CO2 measured under time-of-flight conditions over a wide range of the reduced electric field, 15Td <= E/N <= 2660Td in a scanning drift tube apparatus. The data obtained in the experiments are also applied to determine the effective steady-state Townsend ionization coefficient. These parameters are compared to the results of previous experimental studies, as well as to results of various kinetic computations: solutions of the electron Boltzmann equation under different approximations (multiterm and density gradient expansions) and Monte Carlo simulations. The experimental data extend the range of E/N compared with previous measurements and are consistent with most of the transport parameters obtained in these earlier studies. The computational results point out the range of applicability of the respective approaches to determine the different measured transport properties of electrons in CO2. They demonstrate as well the need for further improvement of the electron collision cross section data for CO2 taking into account the present experimental data.

A magnetic field was recently shown to enhance field-parallel heat conduction in a strongly correlated plasma whereas cross-field conduction is reduced. Here we show that in such plasmas, the magnetic field has the additional effect of inhibiting the isotropization process between field-parallel and cross-field temperature components thus leading to the emergence of strong and long-lived temperature anisotropies when the plasma is locally perturbed. An extended heat equation is shown to describe this process accurately.

A "scanning" drift tube apparatus, capable of mapping of the spatio-temporal evolution of electron swarms, developing between two plane electrodes under the effect of a homogeneous electric field, is presented. The electron swarms are initiated by photoelectron pulses and the temporal distributions of the electron flux are recorded while the electrode gap length (at a fixed electric field strength) is varied. Operation of the system is tested and verified with argon gas, the measured data are used for the evaluation of the electron bulk drift velocity. The experimental results for the space-time maps of the electron swarms - presented here for the first time - also allow clear observation of deviations from hydrodynamic transport. The swarm maps are also reproduced by particle simulations.

A Computationally Assisted Spectroscopic Technique to measure secondary electron emission coefficients ($\gamma$-CAST) in capacitively-coupled radio-frequency plasmas is proposed. This non-intrusive, sensitive diagnostic is based on a combination of Phase Resolved Optical Emission Spectroscopy and particle-based kinetic simulations. In such plasmas (under most conditions in electropositive gases) the spatio-temporally resolved electron-impact excitation/ionization rate features two distinct maxima adjacent to each electrode at different times within each RF period. While one maximum is the consequence of the energy gain of electrons due to sheath expansion, the second maximum is produced by secondary electrons accelerated towards the plasma bulk by the sheath electric field at the time of maximum voltage drop across the adjacent sheath. Due to these different excitation/ionization mechanisms, the ratio of the intensities of these maxima is very sensitive to the secondary electron emission coefficient $\gamma$. This sensitvity, in turn, allows $\gamma$ to be determined by comparing experimental excitation profiles and simulation data obtained with various $\gamma$-coefficients. The diagnostic, tested here in a geometrically symmetric argon discharge, yields an effective secondary electron emission coefficient of $\gamma = 0.066 \pm 0.01$ for stainless steel electrodes.

The self-excitation of Plasma Series Resonance (PSR) oscillations plays an important role in the electron heating dynamics in Capacitively Coupled Radio Frequency (CCRF) plasmas. In a combined approach of PIC/MCC simulations and a theoretical model based on an equivalent circuit, we investigate the self-excitation of PSR oscillations and their effect on the electron heating in geometrically symmetric CCRF plasmas driven by multiple consecutive harmonics. The discharge symmetry is controlled via the Electrical Asymmetry Effect, i.e. by varying the total number of harmonics and tuning the phase shifts between them. It is demonstrated that PSR oscillations will be self-excited under both symmetric and asymmetric conditions, if (i) the charge-voltage relation of the plasma sheaths deviates from a simple quadratic behavior and if (ii) the inductance of the plasma bulk exhibits a temporal modulation. These two effects have been neglected up to now, but we show that they must be included in the model in order to properly describe the nonlinear series resonance circuit and reproduce the self-excitation of PSR oscillations, which are observed in the electron current density resulting from simulations of geometrically symmetric CCRF plasmas. Furthermore, the effect of the PSR self-excitation on the discharge current and the plasma properties, such as the potential profile, is illustrated by applying Fourier analysis. High frequency oscillations in the entire spectrum between the applied frequencies and the local electron plasma frequency are observed. As a consequence, the electron heating is strongly enhanced by the presence of PSR oscillations.

We propose a method to generate a single peak at a distinct energy in the ion flux-energy distribution function (IDF) at the electrode surfaces in capacitively coupled plasmas. The technique is based on the tailoring of the driving voltage waveform, i.e. adjusting the phases and amplitudes of the applied harmonics, to optimize the accumulation of ions created by charge exchange collisions and their subsequent acceleration by the sheath electric field. The position of the peak (i.e. the ion energy) and the flux of the ions within the peak of the IDF can be controlled in a wide domain by tuning the parameters of the applied RF voltage waveform, allowing optimization of various applications where surface reactions are induced at particular ion energies.

We investigate the electron heating dynamics in electropositive argon and helium capacitively coupled RF discharges driven at 13.56 MHz by Particle in Cell simulations and by an analytical model. The model allows to calculate the electric field outside the electrode sheaths, space and time resolved within the RF period. Electrons are found to be heated by strong ambipolar electric fields outside the sheath during the phase of sheath expansion in addition to classical sheath expansion heating. By tracing individual electrons we also show that ionization is primarily caused by electrons that collide with the expanding sheath edge multiple times during one phase of sheath expansion due to backscattering towards the sheath by collisions. A synergistic combination of these different heating events during one phase of sheath expansion is required to accelerate an electron to energies above the threshold for ionization. The ambipolar electric field outside the sheath is found to be time modulated due to a time modulation of the electron mean energy caused by the presence of sheath expansion heating only during one half of the RF period at a given electrode. This time modulation results in more electron heating than cooling inside the region of high electric field outside the sheath on time average. If an electric field reversal is present during sheath collapse, this time modulation and, thus, the asymmetry between the phases of sheath expansion and collapse will be enhanced. We propose that the ambipolar electron heating should be included in models describing electron heating in capacitive RF plasmas.

We report the results of a combined experimental and modeling study of the electrical breakdown of hydrogen and deuterium in static (DC) and radio-frequency (RF, 13.56 MHz) electric fields. For the simulations of the breakdown events, simplified models are used and only electrons are traced by Monte Carlo simulation. The experimental DC Paschen curve of hydrogen is used for the determination of the effective secondary electron emission coefficient. A very good agreement between the experimental and the calculated RF breakdown characteristics for hydrogen is found. For deuterium, on the other hand, presently available cross section sets do not allow a reproduction of RF breakdown characteristics.

The kinetic origin of resonance phenomena in capacitively coupled radio frequency plasmas is discovered based on particle-based numerical simulations. The analysis of the spatio-temporal distributions of plasma parameters such as the densities of hot and cold electrons, as well as the conduction and displacement currents reveals the mechanism of the formation of multiple electron beams during sheath expansion. The interplay between highly energetic beam electrons and low energetic bulk electrons is identified as the physical origin of the excitation of harmonics in the current.

In most PIC/MCC simulations of radio frequency capacitively coupled plasmas (CCPs) several simplifications are made: (i) fast neutrals are not traced, (ii) heavy particle induced excitation and ionization are neglected, (iii) secondary electron emission from boundary surfaces due to neutral particle impact is not taken into account, and (iv) the secondary electron emission coefficient is assumed to be constant, i.e. independent of the incident particle energy and the surface conditions. Here we question the validity of these simplifications under conditions typical for plasma processing applications. We study the effects of including fast neutrals and using realistic energy-dependent secondary electron emission coefficients for ions and fast neutrals in simulations of CCPs operated in argon at 13.56 MHz and at neutral gas pressures between 3 Pa and 100 Pa. We find a strong increase of the plasma density and the ion flux to the electrodes under most conditions, if these processes are included realistically in the simulation. The sheath widths are found to be significantly smaller and the simulation is found to diverge at high pressures for high voltage amplitudes in qualitative agreement with experimental findings. By switching individual processes on and off in the simulation we identify their individual effects on the ionization dynamics and plasma parameters. We conclude that fast neutrals and energy-dependent secondary electron emission coefficients must be included in simulations of CCPs in order to yield realistic results.

The effect of changing the driving frequency on the plasma density and the electron dynamics in a capacitive radio-frequency argon plasma operated at low pressures of a few Pa is investigated by Particle in Cell/Monte Carlo Collisions simulations and analytical modeling. In contrast to previous assumptions the plasma density does not follow a quadratic dependence on the driving frequency in this non-local collisionless regime. Instead, a step-like increase at a distinct driving frequency is observed. Based on the analytical power balance model, in combination with a detailed analysis of the electron kinetics, the density jump is found to be caused by an electron heating mode transition from the classical $\alpha$-mode into a low density resonant heating mode characterized by the generation of two energetic electron beams at each electrode per sheath expansion phase. These electron beams propagate through the bulk without collisions and interact with the opposing sheath. In the low density mode, the second beam is found to hit the opposing sheath during its collapse. Consequently, a high number of energetic electrons is lost at the electrodes resulting in a poor confinement of beam electrons in contrast to the classical $\alpha$-mode observed at higher driving frequencies. Based on the analytical model this modulated confinement quality and the related modulation of the energy lost per electron lost at the electrodes is demonstrated to cause the step-like change of the plasma density. The effects of a variation of the electrode gap, the neutral gas pressure, the electron sticking and secondary electron emission coefficients of the electrodes on this step-like increase of the plasma density are analyzed based on the simulation results.

Coulomb collisions, at appreciable ratios (\eta) of the electron to the neutral particle density, influence significantly the electron kinetics in particle swarms and in plasmas of gas discharges. This paper introduces a combination of Molecular Dynamics and Monte Carlo simulation techniques, to provide a novel, approximation free, first principles calculation method for the velocity distribution function of electrons, and related swarm characteristics, at arbitrary \eta. Simulation results are presented for electrons in argon gas, for density ratios between zero and 0.1, representing the limits of a negligible electron density and an almost complete Maxwellization of the velocity distribution function, respectively.

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 timescale of plasma oscillations. The observation of the increased caging time is in accordance with findings that the magnetic field decreases diffusion in similar systems.

We compute linear and quadratic static density response functions of three-dimensional Yukawa liquids by applying an external perturbation potential in molecular dynamics simulations. The response functions are also obtained from the equilibrium fluctuations (static structure factors) in the system via the fluctuation-dissipation theorems. The good agreement of the quadratic response functions, obtained in the two different ways confirms the quadratic fluctuation-dissipation theorem. We also find that the three-point structure function may be factorizable into two-point structure functions, leading to a cluster representation of the equilibrium triplet correlation function.

The dynamics of temporally modulated plasma boundary sheaths is studied in the intermediate radio frequency regime where the applied radio frequency and the ion plasma frequency are comparable. Two kinetic simulation codes are employed and their results are compared. The first code is a realization of the well-known scheme, Particle-In-Cell with Monte Carlo collisions (PIC/MCC) and simulates the entire discharge, a planar radio frequency capacitively coupled plasma (RF-CCP) with an additional heating source. The second code is based on the recently published scheme Ensemble-in-Spacetime (EST); it resolves only the sheath and requires the time resolved voltage across and the ion flux into the sheath as input. Ion inertia causes a temporal asymmetry (hysteresis) of the sheath charge-voltage relation; also other ion transit time effects are found. The two codes are in good agreement, both with respect to the spatial and temporal dynamics of the sheath and with respect to the ion energy distributions at the electrodes. It is concluded that the EST scheme may serve as an efficient post-processor for fluid or global simulations and for measurements: It can rapidly and accurately calculate ion distribution functions even when no genuine kinetic information is available.

Benchmarking is generally accepted as an important element in demonstrating the correctness of computer simulations. In the modern sense, a benchmark is a computer simulation result that has evidence of correctness, is accompanied by estimates of relevant errors, and which can thus be used as a basis for judging the accuracy and efficiency of other codes. In this paper, we present four benchmark cases related to capacitively coupled discharges. These benchmarks prescribe all relevant physical and numerical parameters. We have simulated the benchmark conditions using five independently developed particle-in-cell codes. We show that the results of these simulations are statistically indistinguishable, within bounds of uncertainty that we define. We therefore claim that the results of these simulations represent strong benchmarks, that can be used as a basis for evaluating the accuracy of other codes. These other codes could include other approaches than particle-in-cell simulations, where benchmarking could examine not just implementation accuracy and efficiency, but also the fidelity of different physical models, such as moment or hybrid models. We discuss an example of this kind in an appendix. Of course, the methodology that we have developed can also be readily extended to a suite of benchmarks with coverage of a wider range of physical and chemical phenomena.

Electron heating and ionization dynamics in capacitively coupled radio frequency (RF) atmospheric pressure microplasmas operated in helium are investigated by Particle in Cell simulations and semi-analytical modeling. A strong heating of electrons and ionization in the plasma bulk due to high bulk electric fields are observed at distinct times within the RF period. Based on the model the electric field is identified to be a drift field caused by a low electrical conductivity due to the high electron-neutral collision frequency at atmospheric pressure. Thus, the ionization is mainly caused by ohmic heating in this "Omega-mode". The phase of strongest bulk electric field and ionization is affected by the driving voltage amplitude. At high amplitudes, the plasma density is high, so that the sheath impedance is comparable to the bulk resistance. Thus, voltage and current are about 45{\deg} out of phase and maximum ionization is observed during sheath expansion with local maxima at the sheath edges. At low driving voltages, the plasma density is low and the discharge becomes more resistive resulting in a smaller phase shift of about 4{\deg}. Thus, maximum ionization occurs later within the RF period with a maximum in the discharge center. Significant analogies to electronegative low pressure macroscopic discharges operated in the Drift-Ambipolar mode are found, where similar mechanisms induced by a high electronegativity instead of a high collision frequency have been identified.

The excitation spectra of two-dimensional strongly coupled (liquid-like) Yukawa systems under the influence of a magnetic field perpendicular to the plane are found to sustain additional high-frequency modes at multiples of the magnetoplasmon. These modes are reminiscent of the well-known Bernstein modes but show a number of important differences due to the strong coupling of the particles.

The generation of higher harmonics of the magnetoplasmon frequency which has recently been reported in strongly coupled two-dimensional Yukawa systems is investigated in detail and, in addition, extended to two-dimensional Coulomb systems. We observe higher harmonics over a much larger frequency range than before and compare the theoretical prediction with the simulations. The influence of the coupling, structure, and thermal energy on the excitation of these modes is examined in detail. We also report on the effect of friction on the mode spectra to make predictions about the experimental observability of this new effect.

The existence of plasma oscillations at multiples of the magnetoplasmon frequency in a strongly coupled two-dimensional magnetized Yukawa plasma is reported, based on extensive molecular dynamics simulations. These modes are the analogues of Bernstein modes which are renormalized by strong interparticle correlations. Their properties are theoretically explained by a dielectric function incorporating the combined effect of a magnetic field, strong correlations and finite temperature.

We present compelling evidence supporting the conjecture that the origin of the roton in Bose-condensed systems arises from strong correlations between the constituent particles. By studying the two dimensional bosonic dipole systems a paradigm, we find that classical molecular dynamics (MD) simulations provide a faithful representation of the dispersion relation for a low- temperature quantum system. The MD simulations allow one to examine the effect of coupling strength on the formation of the roton minimum and to demonstrate that it is always generated at a sufficiently high enough coupling. Moreover, the classical images of the roton-roton, roton-maxon, etc. states also appear in the MD simulation spectra as a consequence of the strong coupling., Comment: 7 pages, 4 figures

A classical dusty plasma experiment was performed using two different dust grain sizes to form a strongly coupled asymmetric bilayer (two closely spaced interacting monolayers) of two species of charged dust particles. The observation and analysis of the thermally excited particle oscillations revealed the collective mode structure and wave dispersion in this system; in particular the existence of the theoretically predicted $k=0$ energy (frequency) gap was verified. Equilibrium molecular dynamics simulations were performed to emulate the experiment, assuming Yukawa type inter-particle interaction. The simulations and analytic calculations based both on lattice summation and on the QLCA approach are in good agreement with the experimental findings and help identifying and characterizing the observed phenomena., Comment: Submitted to PRL

The emergence and vanishing of superdiffusion in quasi-two-dimensional Yukawa systems are investigated by molecular dynamics simulations. Using both the asymptotic behaviour of the mean-squared displacement of the particles and the long-time tail of the velocity autocorrelation function as indicators for superdiffusion, we confirm the existence of a transition from normal diffusion to superdiffusion in systems changing from a three-dimensional to a two-dimensional character. A connection between superdiffusion and dimensionality is established by the behaviour of the projected pair distribution function.

This paper intends to review some of the prominent properties of strongly coupled classical plasmas having in mind the possible link with the quark-gluon plasma created in heavy-ion collisions. Thermodynamic and transport properties of classical liquid-state one-component plasmas are described and features of collective excitations are presented.

A two-dimensional Yukawa liquid is studied using two different nonequilibrium molecular dynamics simulation methods. Shear viscosity values in the limit of small shear rates are reported for a wide range of Coulomb coupling parameter and screening length. At high shear rates it is demonstrated that this liquid exhibits shear thinning, i.e., the viscosity $\eta$ diminishes with increasing shear rate. It is expected that two-dimensional dusty plasmas will exhibit this effect., Comment: 11 pages text and 4 figures

The properties of a strongly interacting quark plasma are investigated by molecular dynamics method including non-abelian quark-quark potential. Our main goal is to study the thermalization process in this system. We find an interesting resonance-like behaviour: at a characteristic time close to the inverse plasma frequency the quark plasma is heated up substantially via energy transfer from quark potential energy into one particle kinetic energy. Color rotation mechanism enhances the effectivity of this heating process, leading to a very fast thermalization with high temperature., Comment: To appear in the proceedings of 18th International Conference on Ultrarelativistic Nucleus-Nucleus Collisions: Quark Matter 2005 (QM 2005), Budapest, Hungary, 4-9 Aug 2005