Ion Density Profiles Research Articles

Dielectric Decrement in a Charging Microcapacitor

With the aid of the dynamic density functional theory of Archer, the ionic density profile, the surface charge density, and the related dielectric constant distribution in a microcapacitor were determined. It is found that the law of the dielectric decrement is deeply affected by the ionic density profile and the excluded volume effects. While when the ionic density is very large, the excluded volume effects will play a dominating role.

Dayside ionosphere of Titan: Impact on calculated plasma densities due to variations in the model parameters

A one dimensional photochemical model for the dayside ionosphere of Titan has been developed for calculating the density profiles of ions and electrons under steady state photochemical equilibrium condition. We concentrated on the T40 flyby of Cassini orbiter and used the in-situ measurements from instruments onboard Cassini as input to the model. An energy deposition model is employed for calculating the attenuated photon flux and photoelectron flux at different altitudes in Titan’s ionosphere. We used the Analytical Yield Spectrum approach for calculating the photoelectron fluxes. Volume production rates of major primary ions, like, N2+, N+, CH4+, CH3+, etc due to photon and photoelectron impact are calculated and used as input to the model. The modeled profiles are compared with the Cassini Ion Neutral Mass Spectrometer (INMS) and Langmuir Probe (LP) measurements. The calculated electron density is higher than the observation by a factor of 2 to 3 around the peak. We studied the impact of different model parameters, viz. photoelectron flux, ion production rates, electron temperature, dissociative recombination rate coefficients, neutral densities of minor species, and solar flux on the calculated electron density to understand the possible reasons for this discrepancy. Recent studies have shown that there is an overestimation in the modeled photoelectron flux and N2+ ion production rates which may contribute towards this disagreement. But decreasing the photoelectron flux (by a factor of 3) and N2+ ion production rate (by a factor of 2) decreases the electron density only by 10 to 20%. Reduction in the measured electron temperature by a factor of 5 provides a good agreement between the modeled and observed electron density. The change in HCN and NH3 densities affects the calculated densities of the major ions (HCNH+, C2H5+, and CH5+); however the overall impact on electron density is not appreciable ( < 20%). Even though increasing the dissociative recombination rate coefficients of the ions C2H5+ and CH5+ by a factor of 10 reduces the difference between modeled and observed densities of the major ions, the modeled electron density is still higher than the observation by ∼ 60% at the peak. We suggest that there might be some unidentified chemical reactions that may account for the additional loss of plasma in Titan’s ionosphere.

Impurity transport caused by blob and hole propagations

It is for the first time demonstrated by means of the three-dimensional electrostatic particle-in-cell simulation that the impurity ion transport caused by blob and hole propagations might not be negligible as compared with other types of transport. The simulations have shown that the impurity ion density profile in the blob/hole structure becomes a dipolar profile and the dipolar profile of the impurity ion density propagates with the blob/hole. Furthermore, the simulations in which the initial impurity ion density has a radial gradient have revealed that the estimated effective radial diffusion coefficient for impurity ions by a single blob/hole is comparable to the Bohm diffusion coefficient.

Lattice Model of an Ionic Liquid at an Electrified Interface.

We study ionic liquids interacting with electrified interfaces. The ionic fluid is modeled as a Coulomb lattice gas. We compare the ionic density profiles calculated using a popular modified Poisson-Boltzmann equation with the explicit Monte Carlo simulations. The modified Poisson-Boltzmann theory fails to capture the structural features of the double layer and is also unable to correctly predict the ionic density at the electrified interface. The lattice Monte Carlo simulations qualitatively capture the coarse-grained structure of the double layer in the continuum. We propose a convolution relation that semiquantitatively relates the ionic density profiles of a continuum ionic liquid and its lattice counterpart near an electrified interface.

Observation of the bulk ion density peaking in a discharge with an impurity hole in the LHD

Radial profiles of bulk ion and impurity ions density are simultaneously measured and quantified using charge exchange spectroscopy and peaking parameter, . The peaking parameter is positive for inward and negative for outward convection in a plasma with an impurity hole in the Large Helical Device. Following the formation of an impurity hole associated with the transition from L-mode to ion ITB plasma, the bulk ion becomes peaked by the inward convection , while impurities (helium and carbon) become hollow due to the outward convection . In contrast to the ion ITB plasma, in the L-mode plasma the impurity profiles are peaked , where the bulk ion density profile remains flat . Understanding of the impurity behavior in the ion ITB plasma could lead to a self cleaning plasma reactor concept, with an efficient impurity exhaust.

Nightside ionosphere of Mars: Composition, vertical structure, and variability

AbstractWe provide an overview of the composition, vertical structure, and variability of the nightside ionosphere of Mars as observed by Mars Atmosphere and Volatile EvolutioN (MAVEN)'s Neutral Gas and Ion Mass Spectrometer (NGIMS) through 19 months of the MAVEN mission. We show that O is the most abundant ion down to ∼130 km at all nightside solar zenith angles (SZA). However, below 130 km NO+ is the most abundant ion, and NO+ densities increase with decreasing altitude down to at least 120 km. We also show how the densities of the major ions decrease with SZA across the terminator. At lower altitudes the O and CO densities decrease more rapidly with SZA than the NO+ and HCO+ densities, which changes the composition of the ionosphere from being primarily O on the dayside to being a mixture of O , NO+, and HCO+ on the nightside. These variations are in accord with the expected ion‐neutral chemistry, because both NO+ and HCO+ have long chemical lifetimes. Additionally, we present median ion density profiles from three different nightside SZA ranges, including deep on the nightside at SZAs greater than 150° and discuss how they compare to particle precipitation models. Finally, we show that nightside ion densities can vary by nearly an order of magnitude over monthlong timescales. The largest nightside densities were observed at high northern latitudes during winter and coincided with a major solar energetic particle event.

Ion density and temperature profiles along (XGSM) and across (ZGSM) the magnetotail as observed by THEMIS, Geotail, and ARTEMIS

AbstractCharacteristics of the two‐dimensional configuration of the magnetotail current sheet are important for modeling magnetotail motion/evolution and charged particle energization. Because of the magnetotail current sheet's dynamical nature, however, simultaneous plasma and magnetic field measurements at different radial distances are required to reveal this configuration. Simultaneous observations of the magnetotail current sheet from Time History of Events and Macroscale Interactions during Substorms (THEMIS) D (around 10RE downtail), Geotail (around 30RE downtail), and Acceleration, Reconnection, Turbulence and Electrodynamics of the Moons Interaction with the Sun (ARTEMIS) P1 (around 55RE downtail) are used to study distributions of plasma (ion) density and temperature along (Earth‐Sun direction) and across (north‐south direction) the magnetotail. Fourteen events (each including several current sheet crossings at different downtail distances) are studied. We demonstrate that the plasma temperature along and across the magnetotail varies more significantly than plasma density does. The temperature decrease from equatorial plane to current sheet boundaries is a major contributor to the cross‐tail pressure balance. The Alfven velocity VA,B calculated at the current sheet boundaries increases significantly toward the Earth from 700 km/s at lunar orbit ∼55RE to 2200 km/s around ∼10RE downtail. The corresponding energy (mp is the proton mass) is 4 times larger than the plasma temperature T0 in the magnetotail's equatorial plane, whereas the ratio EA/T0 is constant along the magnetotail. The plasma temperature T0 measured around lunar orbit in the magnetotail agrees well with the simultaneously measured energy of solar wind protons (VSW is the solar wind speed).

Model simulations of ion and electron density profiles in ionospheric E and F regions

AbstractWe develop a time‐dependent theoretical numerical model to simulate the density profiles of the ions (i.e., O+(2P), O+(2D), N2+, O+(4S), N+, O2+, and NO+) and free electrons in E and F regions. In this model, the ion photoionization production rates, the photoelectron ionization production effect, and the chemical reactions between the ionized species and the neutral compositions are considered, and the plasma transport processes are not included. The simulation results show that the mean electron density ratios of the model simulations to the AE‐C satellite measurements for the Solar Dynamics Observatory‐Extreme Ultraviolet Variability Experiment (SDO‐EVE), EUV flux model for Aeronomic Calculations, and Hinteregger‐Fukui‐Gilson solar irradiance models are, respectively, 0.97, 0.79, and 0.71 in a height range 140–400 km and 0.79, 0.75, and 0.64 in a height range 90–150 km. A comparison shows that the electron densities simulated by the model developed in this study are much more consistent with the in situ measurements made by the AE‐C satellite than those predicted by the International Reference Ionosphere model and simulated by the Thermosphere Ionosphere Electrodynamics General Circulation Model. The model simulations with SDO‐EVE solar irradiance input indicate that the photoelectron impact production process contributes about 20%–30% of the total atomic ion densities throughout the height range 130–400 km around noon. However, the photoelectron production effect on the molecular ion densities is very minor (less than about 7%) above 275 km. Below 250 km, its effect increases with the decrease of height for O2+ and N2+, from about 4% and 10% at 250 km to 13% and 27% at 150 km, respectively.

Molecular dynamics simulation of the structure and interfacial free energy barriers of mixtures of ionic liquids and divalent salts near a graphene wall.

A molecular dynamics study of mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIm][BF4]) with magnesium tetrafluoroborate (Mg[BF4]2) confined between two parallel graphene walls is reported. The structure of the system is analyzed by means of ionic density profiles, lateral structure of the first layer close to the graphene surface and angular orientations of imidazolium cations. Free energy profiles for divalent magnesium cations are calculated using two different methods in order to evaluate the height of the potential barriers near the walls, and the results are compared with those of mixtures of the same ionic liquid and a lithium salt (Li[BF4]). Preferential adsorption of magnesium cations is analyzed using a simple model and compared to that of lithium cations, and vibrational densities of states are calculated for the cations close to the walls analyzing the influence of the graphene surface charge. Our results indicate that magnesium cations next to the graphene wall have a roughly similar environment to that in the bulk. Moreover, they face higher potential barriers and are less adsorbed on the charged graphene walls than lithium cations. In other words, magnesium cations have a more stable solvation shell than lithium ones.

Competition between excluded-volume and electrostatic interactions for nanogel swelling: effects of the counterion valence and nanogel charge.

In this work the equilibrium distribution of ions around a thermo-responsive charged nanogel particle in an electrolyte aqueous suspension is explored using coarse-grained Monte Carlo computer simulations and the Ornstein-Zernike integral equation theory. We explicitly consider the ionic size in both methods and study the interplay between electrostatic and excluded-volume effects for swollen and shrunken nanogels, monovalent and trivalent counterions, and for two different nanogel charges. We find good quantitative agreement between the ionic density profiles obtained using both methods when the excluded repulsive force exerted by the cross-linked polymer network is taken into account. For the shrunken conformation, the electrostatic repulsion between the charged groups provokes a heterogeneous polymer density profile, leading to a nanogel structure with an internal low density hole surrounded by a dense corona. The results show that the excluded-volume repulsion strongly hinders the ion permeation for shrunken nanogels, where volume exclusion is able to significantly reduce the concentration of counterions in the more dense regions of the nanogel. In general, we demonstrate that the thermosensitive behaviour of nanogels, as well as their internal structure, is strongly influenced by the valence of the counterions and also by the charge of the particles. On the one hand, an increase of the counterion valence moves the swelling transition to lower temperatures, and induces a major structuring of the charged monomers into internal and external layers around the crown for shrunken nanogels. On the other hand, increasing the particle charge shifts the swelling curve to larger values of the effective radius of the nanogel.

Electrical double layer properties of spherical oxide nanoparticles.

The accurate characterization of the electrical double layer properties of nanoparticles is of fundamental importance for optimizing their physicochemical properties for specific biotechnological and biomedical applications. In this article, we use classical solvation density functional theory and a surface complexation model to investigate the effects of the pH and the nanoparticle size on the structural and electrostatic properties of an electrolyte solution surrounding a spherical silica oxide nanoparticle. The formulation has been particularly useful for identifying dominant interactions governing the ionic driving force at a variety of pH levels and nanoparticle sizes. As a result of the energetic interplay displayed between electrostatic potential, ion-ion correlation and particle crowding effects on the nanoparticle surface titration, rich, non-trivial ion density profiles and mean electrostatic potential behavior have been found.

Calibrating ion density profile measurements in ion thruster beam plasma.

The ion thruster beam plasma is characterized by high directed ion velocity (104 m/s) and low plasma density (1015 m-3). Interpretation of measurements of such a plasma based on classical Langmuir probe theory can yield a large experimental error. This paper presents an indirect method to calibrate ion density determination in an ion thruster beam plasma using a Faraday probe, a retarding potential analyzer, and a Langmuir probe. This new method is applied to determine the plasma emitted from a 20-cm-diameter Kaufman ion thruster. The results show that the ion density calibrated by the new method can be as much as 40% less than that without any ion current density and ion velocity calibration.

A Simple Model for Ion Flux‐Energy Distribution Functions in Capacitively Coupled Radio‐Frequency Plasmas Driven by Arbitrary Voltage Waveforms

The ion flux‐energy distribution function (IFEDF) is of crucial importance for surface processing applications of capacitively coupled radio‐frequency (CCRF) plasmas. Here, we propose a model that allows for the determination of the IFEDF in such plasmas for various gases and pressures in both symmetric and asymmetric configurations. A simplified ion density profile and a quadratic charge voltage relation for the plasma sheaths are assumed in the model, of which the performance is evaluated for single‐ as well as multi‐frequency voltage waveforms. The IFEDFs predicted by this model are compared to those obtained from PIC/MCC simulations and retarding field energy analyzer measurements. Furthermore, the development of the IFEDF shape and the ion dynamics in the plasma sheath region are discussed in detail based on the spatially and temporally resolved model data.

Structure formation in parallel ion flow and density profiles by cross-ferroic turbulent transport in linear magnetized plasma

In this paper, we show the direct observation of the parallel flow structure and the parallel Reynolds stress in a linear magnetized plasma, in which a cross-ferroic turbulence system is formed [Inagaki et al., Sci. Rep. 6, 22189 (2016)]. It is shown that the parallel Reynolds stress induced by the density gradient driven drift wave is the source of the parallel flow structure. Moreover, the generated parallel flow shear by the parallel Reynolds stress is found to drive the parallel flow shear driven instability D'Angelo mode, which coexists with the original drift wave. The excited D'Angelo mode induces the inward particle flux, which seems to help in maintaining the peaked density profile.

An ab initio study of the structure and atomic transport in bulk liquid Ag and its liquid-vapor interface

Several static and dynamic properties of bulk liquid Ag at a thermodynamic state near its triple point have been calculated by means of ab initio molecular dynamics simulations. The calculated static structure shows a very good agreement with the available experimental data. The dynamical structure reveals propagating excitations whose dispersion at long wavelengths is compatible with the experimental sound velocity. Results are also reported for other transport coefficients. Additional simulations have also been performed so as to study the structure of the free liquid surface. The calculated longitudinal ionic density profile shows an oscillatory behaviour, whose properties are analyzed through macroscopic and microscopic methods. The intrinsic X-ray reflectivity of the surface is predicted to show a layering peak associated to the interlayer distance.

One-dimensional hybrid simulation of the electrical asymmetry effect caused by the fourth-order harmonic in dual-frequency capacitively coupled plasma**Project supported by the National Natural Science Foundation of China (Grant Nos. 11305032, 11305028, 11375163, and 11275039) and the Scientific Foundation of Ministry of Education of China (Grant No. N130405008).

A one-dimensional hybrid model was developed to study the electrical asymmetry effect (EAE) caused by the fourth-order harmonic in a dual-frequency capacitively coupled Ar plasma. The self-bias voltage caused by the fourth-order frequency changes periodically with the phase angle, and the cycle of self-bias with the phase angle is π/2, which is half of that in the second-order case. The influence of the phase angle between the fundamental and its fourth-order frequency on the ion density profiles and the ion energy distributions (IEDs) were studied. Both the ion density profile and the IEDs can be controlled by the phase angle, which provides a convenient way to adjust the sheath characters without changing the main discharge parameters.

Charge neutrality breakdown in confined aqueous electrolytes: Theory and simulation.

We study, using Density Functional theory (DFT) and Monte Carlo simulations, aqueous electrolyte solutions between charged infinite planar surfaces, in contact with a bulk salt reservoir. In agreement with recent experimental observations [Z. Luo et al., Nat. Commun. 6, 6358 (2015)], we find that the confined electrolyte lacks local charge neutrality. We show that a DFT based on a bulk-HNC expansion properly accounts for strong electrostatic correlations and allows us to accurately calculate the ionic density profiles between the charged surfaces, even for electrolytes containing trivalent counterions. The DFT allows us to explore the degree of local charge neutrality violation, as a function of plate separation and bulk electrolyte concentration, and to accurately calculate the interaction force between the charged surfaces.

The escape of O+ ions from the atmosphere: An explanation of the observed ion density profiles on Mars

Experimental determinations of the Kinetic Energy Released (KER) for ions, originating by Coulomb explosion of CO22+ dications produced by double photoionization of CO2, are reported. The KER are measured by using synchrotron radiation in the range of 34–50eV coupled with electron-ion-ion coincidence technique. For O+ and CO+, originating by Coulomb explosion of CO22+, KER are ranging between 1.0–5.0 and 0.4–3.0eV, respectively, being large enough to allow these ions in participating in the atmospheric escape from Mars and Titan into space. An explanation for the observed behavior of O+ and CO22+ ion density profiles on Mars atmosphere is proposed.

Relative adsorption excess of ions in binary solvents determined by grazing-incidence X-ray fluorescence

We demonstrate a model-independent method for experimental determination of the relative surface excess of inorganic ions in binary liquid mixtures, based on grazing-incidence X-ray fluorescence. For this purpose, we probe the ion density profiles in a mixture of water and 2,6-dimethylpyridine containing a hydrophilic salt, potassium chloride. Thereby we demonstrate that the proposed method quantifies in a direct manner the difference between cation and anion excess adsorption in binary solvents with a resolution of one excess ion per 200nm2 or better.

Fundamental aspects of electric double layer force-distance measurements at liquid-solid interfaces using atomic force microscopy.

Atomic force microscopy (AFM) force-distance measurements are used to investigate the layered ion structure of Ionic Liquids (ILs) at the mica surface. The effects of various tip properties on the measured force profiles are examined and reveal that the measured ion position is independent of tip properties, while the tip radius affects the forces required to break through the ion layers as well as the adhesion force. Force data is collected for different ILs and directly compared with interfacial ion density profiles predicted by molecular dynamics. Through this comparison it is concluded that AFM force measurements are sensitive to the position of the ion with the larger volume and mass, suggesting that ion selectivity in force-distance measurements are related to excluded volume effects and not to electrostatic or chemical interactions between ions and AFM tip. The comparison also revealed that at distances greater than 1 nm the system maintains overall electroneutrality between the AFM tip and sample, while at smaller distances other forces (e.g., van der waals interactions) dominate and electroneutrality is no longer maintained.