Distribution Of Ions Research Articles

Diffusiophoresis of a Charged Soft Sphere in a Charged Spherical Cavity

The quasi-steady diffusiophoresis of a soft particle composed of an uncharged hard sphere core and a uniformly charged porous surface layer in a concentric charged spherical cavity full of a symmetric electrolyte solution with a concentration gradient is analyzed. By using a regular perturbation method with small fixed charge densities of the soft particle and cavity wall, the linearized electrokinetic equations relevant to the fluid velocity field, electric potential profile, and ionic concentration distributions are solved. A closed-form formula for the diffusiophoretic (electrophoretic and chemiphoretic) velocity of the soft particle is obtained as a function of the ratios of the core-to-particle radii, particle-to-cavity radii, particle radius to the Debye screening length, and particle radius to the permeation length in the porous layer. In typical cases, the confining charged cavity wall significantly influences the diffusiophoresis of the soft particle. The fluid flow caused by the diffusioosmosis (electroosmosis and chemiosmosis) along the cavity wall can considerably change the diffusiophoretic velocity of the particle and even reverse its direction. In general, the diffusiophoretic velocity decreases with increasing core-to-particle radius ratios, particle-to-cavity radius ratios, and the ratio of the particle radius to the permeation length in the porous layer, but increases with increasing ratios of the particle radius to the Debye length.

Ion motion above a biased wafer in a plasma etching reactor

The behavior of ions in the plasma is an essential component in the process of industrial etching. We studied the motions and energy distribution of argon ions in a inductively coupled plasma (ICP) etching tool, by the method of laser induced fluorescence (LIF). The silicon wafer clamped to a chuck at the bottom of the chamber was biased with a 1 MHz 1–1.2 kV peak-to-peak sinusoidal voltage. The plasma is formed with a 2 MHz ICP coil pulsed at 10 Hz. Sheath thickness was measured at different phases of the bias waveform. The experiment also compared the ion motions with and without wafer bias, as well as different switch-on time of wafer bias. For all cases, ion energy distribution functions and the two-dimensional flow pattern were studied near the center and edge of the wafer. Significant vortex flows were observed near the wafer edge. Experiments in which the wafer was biased in the plasma afterglow resulted in a narrow distribution of ion energy close to the bias voltage at the vicinity of the wafer, and the ion incident angle on the wafer was the smallest. The results were compared to simulations using the Hybrid Plasma Equipment Model code.

Simulating energetic ions and enhanced fusion rates from ion-cyclotron resonance heating with a full-wave/Fokker–Planck model

Reproducing fast-ion enhanced fusion rates from ion-cyclotron resonance heating (ICRH) in tokamaks requires the self-consistent coupling of a full-wave solver and a Fokker–Planck solver, which evolves multiple simultaneously resonant ion species. We introduce a new self-consistent model that iterates the TORIC full-wave solver with the CQL3D Fokker–Planck solver using the integrated plasma simulator (IPS). This model evolves the bounce-averaged ion distribution functions in both parallel and perpendicular velocity-space with a quasilinear radio frequency (RF) diffusion operator valid in the ion finite Larmor radius (FLR) limit and the RF electric fields with the resultant non-Maxwellian FLR dielectric tensor. This produces non-Maxwellian ICRH simulations that are fully self-consistent, fast, and interoperable with integrated modeling frameworks, such as TRANSP/GACODE/IPS-FASTRAN. We demonstrate our model's capabilities by validating it against experimental data in Alcator C-Mod. We then perform the first RF heating simulations of SPARC using self-consistent non-Maxwellian ion distributions to investigate the potential to enhance fusion rates using ion cyclotron resonance heating generated fast ions.

Modeling the Dynamic Global Distribution of the Ring Current Oxygen Ions Using Artificial Neural Network Technique

AbstractThe ring current is an important component of the Earth's near‐space environment, as its variations are the direct driver of geomagnetic storms that can disrupt power grids, satellite communications, and navigation systems, thereby impacting a wide range of technological and human activities. Oxygen ions (O+) are one of the major components of the ring current and play a significant role in both the enhancement and depletion of the ring current during geomagnetic storms. Although a standard statistical study can provide average global distributions of ring current ions, it can't offer insight into the short‐term dynamic variations of the global distribution. Therefore, we employed the Artificial Neural Network technique to construct a global ring current O+ ion model based on the Van Allen Probes observations. Through optimization of the combination of input geomagnetic indices and their respective time history lengths, the model can well reproduce the spatiotemporal variation of the oxygen ion flux distributions and demonstrates remarkable accuracy and minimal errors. Additionally, the model effectively reconstructs the temporal variation of ring current O+ ions for non‐training set data. Furthermore, the model provides a comprehensive and dynamic representation of global ring current O+ ion distribution. It accurately captures the dynamics of O+ ions during a geomagnetic storm with the oxygen ion fluxes enhancement and decay, and reveals distinct characteristics for different energy levels, such as injection from the plasma sheet, outflow from the ionosphere, and magnetic local time asymmetry.

Impact of the correlation between doping content and ions distribution in Gd-doped CoFe2O4 nanoparticles on their magnetic properties and heating efficiency

Impact of the correlation between doping content and ions distribution in Gd-doped CoFe2O4 nanoparticles on their magnetic properties and heating efficiency

Merits of atomic cascade computations

Atomic cascades refer—first and foremost—to the stepwise de-excitation of excited atoms owing to the emission of electrons or photons. Apart from dedicated experiments at storage rings and synchrotrons, such cascades frequently occur in astro and plasma physics, material research, surface science and at various places elsewhere. In addition, moreover, “atomic cascades” have been found a useful concept for modeling atomic behavior under different conditions, for instance, when dealing with the photoabsorption of matter, the generation of synthesized spectra, or for determining a rather wide class of (plasma) rate coefficients. We here compile and discuss several atomic cascades (schemes) that help predict cross sections, rate coefficients, electron and photon spectra, or ion distributions. We also demonstrate how readily these schemes have been implemented within JAC, the Jena Atomic Calculator. Emphasis is placed on the classification of atomic cascades and their (quite) natural breakdown into cascade computations, to deal with the electronic structure and transition amplitudes of atoms and ions, as well as the cascade simulation of those properties and spectra, that are experimentally accessible. As an example, we show and discuss the computation of dielectronic recombination plasma rate coefficients for beryllium-like gold ions. The concept of atomic cascades and its implementation into JAC can be applied for most ions across the periodic table and will facilitate the modeling and interpretation of many forthcoming observations.Graphical abstract

Mechanisms of whole body, respiratory, acid-base buffering: a first computer-model test of three physicochemical, acid-base theories.

Acid-base disorders are currently analyzed and treated using a bicarbonate-centered approach derived from blood studies prior to the advent of digital computers, which could solve computer models capable of quantifying the complex physicochemical nature governing distribution of water and ions between fluid compartments. An alternative is the Stewart approach, which can predict the pH of a simple mixture of ions and electrically charged proteins; hence, the role of extravascular fluids has been largely ignored. The present study uses a new, comprehensive computer model of four major fluid compartments, based on a recent blood model, which included ion binding to proteins, electroneutrality constraints, and other essential physicochemical laws. The present model predicts quantitative respiratory acid-base buffering behavior in the whole body, as well as determining roles of each compartment and their species, particularly compartmental electrically charged proteins, largely responsible for buffering. The model tested an early theory that H+ was conserved in the body fluids; hence, when changing Pco2 states, intracellular buffering could be predicted by net changes in bicarbonate and protein electrical charge in the remaining fluids. Even though H+ is not conserved in the model, the theory held in simulated respiratory disorders. Model results also agreed with a second part of the theory, that ion movements between cells and interstitial fluid were linked with H+ buffering, but by electroneutrality constraints, not necessarily by some membrane-related mechanisms, and that the strong ion difference (SID), an amalgamation of ionic electrical charges, was approximately conserved when going between equilibrium states caused by Pco2 changes in the body-fluid system.NEW & NOTEWORTHY For the first time, a physicochemically based, whole body, four-compartment, computer model was used to study respiratory whole body acid-base buffering. An improved approach to quantify acid-base buffering, previously used by this author, was able to determine contributions of the various compartmental fluids to whole body buffering. The model was used to test, for the first time, three fundamental theories of whole body acid-base homeostasis, namely, H+-conservation, its linkage to ion transport, and strong ion difference conservation.

Dual-mode excitable Vis/NIR-II luminescence of lanthanide-doped core@multishell nanostructures for anti-counterfeiting and imaging of latent fingerprints

The development of luminescent materials that can simultaneously realize multiple emissions can help improve the reliability of anti-counterfeiting and the security of encrypted information. Lanthanide-doped nanomaterials are very suitable for advanced anti-counterfeiting applications because of their abundant 4 f energy levels and near-infrared (NIR) laser excitability. Herein, we design lanthanide-doped core@multishell nanoparticles NaYF4:Yb,Er/Ho/Tm@NaYF4@NaYF4:Nd@NaYF4, which can realize upconversion luminescence of Er/Ho/Tm under 980 nm excitation, as well as non-overlapping NIR-II luminescence under 980 nm or 808 nm excitation. By precisely controlling the distribution of lanthanide ions in the core-shell layer, the luminescence interference of nanomaterials under different wavelength excitation can be avoided. Experiments show that multi-color security and information encryption under NIR laser excitation can be achieved using aqueous inks containing the designed multilayered core-shell nanostructures, which are covert and difficult to forge. And the multilayer core-shell nanopowder can be used for efficient identification of latent fingerprints on complex surfaces.

A physics-informed deep learning description of Knudsen layer reactivity reduction

A physics-informed neural network (PINN) is used to evaluate the fast ion distribution in the hot spot of an inertial confinement fusion target. The use of tailored input and output layers to the neural network is shown to enable a PINN to learn the parametric solution to the Vlasov–Fokker–Planck equation in the absence of any synthetic or experimental data. As an explicit demonstration of the approach, the specific problem of Knudsen layer fusion yield reduction is treated. Here, the predictions from the Vlasov–Fokker–Planck PINN are used to provide a non-perturbative solution of the fast ion tail in the vicinity of the hot spot, thus allowing the spatial profile of the fusion reactivity to be evaluated for a range of collisionalities and hot spot conditions. Excellent agreement is found between the predictions of the Vlasov–Fokker–Planck PINN and the results from traditional numerical solvers with respect to both the energy and spatial distribution of fast ions and the fusion reactivity profile, demonstrating that the Vlasov–Fokker–Planck PINN provides an accurate and efficient means of determining the impact of Knudsen layer yield reduction across a broad range of plasma conditions.

Thermodynamics of Pickup Ions in the Heliosphere

The paper shows the thermodynamic nature of the evolution of the pickup ion (PUI) distributions through their incorporation and subsequent expansion as the solar wind moves outward through the heliosphere. In particular, the PUI expansive cooling is connected to thermodynamic polytropic processes and the thermodynamic kappa parameter. Previously, the characterization of the cooling was phenomenologically given by a “cooling index” α, which is the exponent involved in the power-law relationship between PUI speed and position. Here, we develop the relationship between the cooling and polytropic indices. Then, we show the connection between the cooling index and the thermodynamic parameter kappa. Finally, we verify the derived thermodynamic relations with direct heliospheric observations over varying distances from the Sun. Going forward, we suggest that studies of PUIs seeking to understand the underlying physics of these important particles rely on the thermodynamic parameter of kappa, and its association with the polytropic index, and not on an ad hoc cooling index.

Revisit of electron temperature effect on stimulated Brillouin scattering in homogenous plasma

Stimulated Brillouin scattering (SBS) has complex dependence on the plasma electron temperature via the Landau damping, particle trapping, and consequent nonlinear frequency shift. It is found from our numerical simulation that the SBS reflectivity in its saturation stage tends to increase with the plasma electron temperature within a certain range, although the linear growth rate of SBS normally reduces with the increasing electron temperature. This is because the phase velocity of an ion acoustic wave (IAW) increases with the electron temperature, which tends to reduce the Landau damping of the IAWs and hence reduce ion trapping. In the nonlinear saturation stage, ion trapping will modify the ion distribution function and induce a negative frequency shift in the IAW. This nonlinear frequency shift will break the three-wave coupling, thereby causing saturation of the SBS. With further increase in the electron temperature, however, electron trapping will dominate over ion trapping, which induces a positive frequency shift in the IAW and can lead to the SBS saturation as well. As a result, the SBS reflectivity first increases and then decreases with increase in the electron temperature. At around the peak of the SBS reflectivity, the positive frequency shift of IAW induced by electron trapping roughly offsets the negative frequency shift induced by ion trapping.

Mechanical Alloying and Concentration Quenching of the Luminescence of Pr3+ Ions in Chalcogenide Glass

The disadvantage of chalcogenide glasses containing rare earth ions as luminescent materials for the IR optical range is the strong concentration quenching of luminescence due to the non-uniform distribution of rare earth ions in the glass matrix. This study investigates the effect of grinding chalcogenide glass containing Pr3+ ions in a planetary ball mill on its luminescent properties in the near-IR range, as well as its optical properties and structure. The results indicate that milling, under certain conditions, leads to a decrease in the concentration quenching of the luminescence of Pr3+ ions. This finding suggests that milling can be used in the development of glassy materials with the increased efficiency of luminescence of rare earth ions. However, it is essential to consider that high-energy milling may result in the formation of areas with increased pressure in the obtained material, leading to structural changes in the glass.

The active pair of Coδ+/Co0 tailored by nickel and CaTiO3 with perovskite phase for higher alcohols synthesis from syngas

Higher alcohols synthesis (HAS) from syngas (CO + H2) is much attractive, but achieving a high selectivity of alcohols is still challenging due to the difficult balance between dissociative adsorption and associative adsorption of CO. In this work, a series of Coδ+/Co0 tailored by nickel and CaTiO3 catalysts derived from a series of perovskite pre-catalyst Ca0.6La0.4Ti0.6Co0.4-xNixO3 were prepared and applied to HAS. Highly dispersed Co-Ni bimetals on CaTiO3 were formed after reduction owing to the uniform distribution of nickel and cobalt ions in the perovskite phase. Through the reduction process, the bimetallic nanoparticles of Co-Ni with Co enriched in surface and Ni in core are produced. In addition, Coδ+ in the active pairs of Coδ+/Co0 were obtained via the interaction between Co and perovskite; and the chemical state of Co0 in the active pairs was tuned by the interaction between nickel and cobalt. The resulted catalyst showed excellent selectivity to higher alcohols with the total alcohols as high as 45.34 %. The higher alcohols reached 70.29 wt% at 270 °C, 3.0 MPa and a GHSV of 3900 mL g−1h−1 with H2/CO = 2/1.

Photoluminescence Probes Ion Insertion into Amorphous and Crystalline Regions of Organic Mixed Conductors

AbstractOrganic mixed ionic‐electronic conductors (OMIECs) have emerged as promising materials for a wide range of next‐generation technologies, including bioelectronics and neuromorphic computing. The performance of these materials depends on the transport of ions through the polycrystalline polymer matrix as well as how the distribution of ions and polarons in crystalline and amorphous regions impacts electronic transport. However, it is often challenging to distinguish whether ions enter crystalline or amorphous regions. In this work, steady‐state and time‐resolved photoluminescence (PL) spectroelectrochemistry is used to probe initial ion insertion in crystalline and amorphous regions of the OMIEC material poly(3‐[2‐[2‐(2‐methoxyethoxy)ethoxy]ethyl]thiophene ‐2,5‐diyl) (P3MEEET) as a function of applied voltage. It is found that PL spectroelectrochemistry reports on the initial stages of electrochemical doping through the quenching of PL emission. By distinguishing between amorphous and crystalline contributions to the PL spectrum, ion insertion in crystalline and amorphous regions as a function of voltage is tracked. It is found that PL spectroelectrochemistry is much more sensitive to the initial injection of ions than complementary methods, highlighting its potential as a sensitive tool for interrogating ion injection in OMIECs.

Pickup Ion Modulation on Plateau-like Turbulence in the Martian Magnetosheath

The distribution of magnetic energy across scales, represented by the turbulence spectrum, provides insights into magnetic field dynamics in astrophysical and space plasma. While the Earth’s magnetosheath exhibits a conventional two-slope spectrum, the Martian magnetosheath often displays a prominent plateau-like spectrum. However, the underlying physical mechanism remains unresolved. Based on MAVEN observations, we present appealing evidence of pickup ions (PUIs) modulating the plateau-like spectrum through proton cyclotron waves (PCWs). PCWs, driven by unstable pickup H+ ion distributions, significantly influence the formation of plateau-like spectra. Both case and statistical studies suggest that the spectral evolution is affected by the relative abundance of pickup O+ ions. A substantial presence of pickup O+ ions can suppress PCWs driven by pickup H+ ions, resulting in a decline in the slope of the plateau spectrum. Particle-in-cell simulations confirm the role of PUI-modulated PCWs in the plateau-range energy injection. Our results provide new insight into the impact of PUIs on magnetic turbulence evolution and associated energy transfer processes in space and astrophysical plasma.

Unraveling the Correlation between the Interface Structures and Tunable Magnetic Properties of La1-xSrxCoO3-δ/La1-xSrxMnO3-δ Bilayers Using Deep Learning Models.

Perovskite oxides are gaining significant attention for use in next-generation magnetic and ferroelectric devices due to their exceptional charge transport properties and the opportunity to tune the charge, spin, lattice, and orbital degrees of freedom. Interfaces between perovskite oxides, exemplified by La1-xSrxCoO3-δ/La1-xSrxMnO3-δ (LSCO/LSMO) bilayers, exhibit unconventional magnetic exchange switching behavior, offering a pathway for innovative designs in perovskite oxide-based devices. However, the precise atomic-level stoichiometric compositions and chemophysical properties of these interfaces remain elusive, hindering the establishment of surrogate design principles. We leverage first-principles simulations, evolutionary algorithms, and neural network searches with on-the-fly uncertainty quantification to design deep learning model ensembles to investigate over 50,000 LSCO/LSMO bilayer structures as a function of oxygen deficiency (δ) and strontium concentration (x). Structural analysis of the low-energy interface structures reveals that preferential segregation of oxygen vacancies toward the interfacial La0.7Sr0.3CoO3-δ layers causes distortion of the CoOx polyhedra and the emergence of magnetically active Co2+ ions. At the same time, an increase in the Sr concentration and a decrease in oxygen vacancies in the La0.7Sr0.3MnO3-δ layers tend to retain MnO6 octahedra and promote the formation of Mn4+ ions. Electronic structure analysis reveals that the nonuniform distributions of Sr ions and oxygen vacancies on both sides of the interface can alter the local magnetization at the interface, showing a transition from ferromagnetic (FM) to local antiferromagnetic (AFM) or ferrimagnetic regions. Therefore, the exotic properties of La1-xSrxCoO3-δ/La1-xSrxMnO3-δ are strongly coupled to the presence of hard/soft magnetic layers, as well as the FM to AFM transition at the interface, and can be tuned by changing the Sr concentration and oxygen partial pressure during growth. These insights provide valuable guidance for the precise design of perovskite oxide multilayers, enabling tailoring of their functional properties to meet specific requirements for various device applications.

Polarization-modulated population distribution of nitrogen molecular ions in a strong laser field

Polarization-modulated population distribution of nitrogen molecular ions in a strong laser field

Ion detection in a DNA nanopore FET device.

An ion detection device that combines a DNA-origami nanopore and a field-effect transistor (FET) was designed and modeled to determine sensitivity of the nanodevice to the local cellular environment. Such devices could be integrated into a live cell, creating an abiotic-biotic interface integrated with semiconductor electronics. A continuum model is used to describe the behavior of ions in an electrolyte solution. The drift-diffusion equations are employed to model the ion distribution, taking into account the electric fields and concentration gradients. This was matched to the results from electric double layer theory to verify applicability of the model to a bio-sensing environment. The FET device combined with the nanopore is shown to have high sensitivity to ion concentration and nanopore geometry, with the electrical double layer behavior governing the device characteristics. A logarithmic relationship was found between ion concentration and a single FET current, generating up to 200 nA of current difference with a small applied bias.

Continuum insight into the effects of electrode design parameters on the electrochemical performance of lithium-ion batteries

Lithium-ion batteries energy and power density strongly depend on the type of active material and the electrode design parameters. An in-depth understanding of the effect of battery design parameters on their electrochemical performance is experimentally expensive and hence requires the utilization of cheaper continuum scale models. Here, using a lithium-ion cell composed of LiFePO4 cathode, Li4Ti5O12 anode and a porous separator filled with a liquid electrolyte as an example, we demonstrate the use of an experimentally validated pseudo-two-dimensional (P2D) model in one-dimension to explore the effects of different cell design parameters on the discharge capacity at different current rates. The model is simulated in two-dimensional to instantly visualize the concentration distribution of Li ions in the electrode at high discharge current rates. The continuum model unravels that the solution phase diffusion limitation is the main factor inhibiting the performance of thick electrodes at high current rates and the Li4Ti5O12 anode is the limiting electrode. These findings using continuum models provide guidance for and accelerate the optimization of electrode architecture for enhancing the performance of lithium-ion batteries.

Velocity-space distribution function of fast ions in a sawtoothing plasma

This study explores the influence of sawtooth oscillations on the velocity space distribution of fast ions in tokamak plasma discharges. The relevant Fokker–Planck equation for fast ions is solved analytically. Two distinct effects arising from the temperature drop associated with a sawtooth crash and their impact on the distribution function of fast ions are considered. The first effect involves the modulation of the fusion alpha particle source on the timescale of the sawtooth period, linked to the drop in fusion yield resulting from the sawtooth temperature relaxations. The second effect is tied to the increase of the slowing-down time during the sawtooth ramp, causing particles born later in the sawtooth cycle to experience reduced slowing down compared to those born right after the crash, creating an accumulation-like mechanism at higher energies. In regimes where the sawtooth period is shorter than the fast ion slowing-down time, the combined influence of these effects gives rise to fast ion distribution functions that transiently exhibit positive slopes in velocity space.