Recombination Rate Coefficients Research Articles

Enhancement of the NORAD-Atomic-Data Database in Plasma

We report recent enhancements to the online atomic database at the Ohio State University, NORAD-Atomic-Data, that provide various parameters for radiative and collisional atomic processes dominant in astrophysical plasma. NORAD stands for Nahar Osu RADiative. The database belongs to the data sources, especially for the latest works, of the international collaborations of the Opacity Project and the Iron Project. The contents of the database are calculated values for energies, oscillator strengths, radiative decay rates, lifetimes, cross-sections for photoionization, electron-ion recombination cross-sections, and recombination rate coefficients. We have recently expanded NORAD-Atomic-Data with several enhancements over those reported earlier. They are as follows: (i) We continue to add energy levels, transition parameters, cross-sections, and recombination rates for atoms and ions with their publications. (ii) Recently added radiative atomic data contain a significant amount of transition data for photo-absorption spectral features corresponding to the X-ray resonance fluorescence effect, showing prominent wavelength regions of bio-signature elements, such as phosphorus ions, and emission bumps of heavy elements, such as of lanthanides, which may be created in a kilonova event. We are including (iii) collisional data for electron-impact-excitation, (iv) experimental data for energies and oscillator strengths for line formation, (v) experimental cross-sections for photoionization that can be applied for benchmarking and other applications, and (vi) the introduction of a web-based interactive feature to calculate spectral line ratios at various plasma temperature and density diagnostics, starting with our recently published data for P II. We presented a summary description of theoretical backgrounds for the computed data in the earlier paper. With the introduction of experimental results in the new version of NORAD, we present a summary description of measurement of high-resolution photoionization cross-sections at an Advanced Light Source of LBNL synchrotron set-up and briefly discuss other set-ups. These additions should make NORAD-Atomic-Data more versatile for various applications. For brevity, we provide information on the extensions and avoid repetition of data description of the original paper.

State-to-state study of non-equilibrium recombination of oxygen and nitrogen molecules.

Rapidly cooled mixtures are of interest for several applications, including hypersonic flows due to the presence of strong cooling temperature gradients in regions such as hypersonic boundary layers and expanding nozzles. There have been very few studies of rapidly cooled mixtures using the high-fidelity rovibrational databases afforded by abinitio potential energy surfaces. This work makes use of existing rovibrational state-specific databases to study rapidly cooled mixtures. In particular, we seek to understand the importance of thermal non-equilibrium in recombining mixtures using both rovibrational and vibrational state-to-state methods for oxygen and nitrogen molecules. We find that although there is significant non-equilibrium during recombination, it is well captured by the vibrational state-specific approach. Finally, we compare the global recombination rate computed based on the state-specific recombination rate coefficients and the global recombination rate computed based on the time local dissociation rate coefficient, which is reversed using the principle of detailed balance. The local dissociation rate coefficient is computed by weighting the state-specific dissociation rate coefficients with the state-specific distribution of energy states. We find a large difference between these rates, highlighting a potential source of errors in hypersonic flow predictions.

Excitation and recombination studies with silicon and sulphur ions at an EBIT

Measurements of electron-impact excitation and recombination rate coefficients of highly charged Si and S ions at the Stockholm electron beam ion trap are reported. The experimental method was a combination of photon detection from the trapped ions during probing and subsequently extraction and time-of-flight (TOF) charge analysis of these ions. The TOF technique allows to measure recombination rate coefficients separately for every charge state, and together with the photon spectra of these ions also the excitation rate coefficients. In this paper, we present more details of the experimental procedure and summarize the experimental results in comparison with two different state-of-the-art calculations of recombination and excitation rates for Si10+–Si13+ and S12+–S15+ ions. One of these uses a relativistic configuration interaction approach (flexible atomic code) and the other is a relativistic many-body perturbation theory. A good to excellent agreement with both of them is found in energy and resonance strength for the investigated ions.

Py3BR: A software for computing atomic three-body recombination rates.

The three-body recombination reaction, or ternary association, is a termolecular reaction leading to a molecule after a three-body encounter that plays a vital role in many relevant scenarios in chemical physics. Here, we introduce the Python 3-Body Recombination program, which is dedicated to the computation of atomic three-body recombination rate coefficients. The software is based on a classical trajectory approach in hyperspherical coordinates after mapping the three-body problem as a single particle in a higher-dimensional space. This theoretical approach is fully general and applicable to any ion-atom-atom or atom-atom-atom three-body process. The predictive power of the methodology has been tested in several different experimental scenarios, reaching a good description of every system. The code structure is presented alongside examples and tests to ensure the software's capacity. In addition, the performance of the software after parallelization is shown.

Improving Operating Time for External Laser Source based Polymer Fiber by Optimizing Model Parameters

In this paper, an analysis of performance acceleration of an external laser source (ELS) model based polymer fiber gratings (PFGs) by reducing the turn-on delay time (TDelay) is successfully investigated numerically by optimizing model parameters. In contrast to all previous studies that relied either on approximate or experimental equations, the analysis was based on an exact numerical formula. The analysis is based on the investigation of the effect of diode injected current (Iin j), temperature (T), recombination rate coefficients (i.e. Anr, B, and C), and optical feedback (OFB) level. Results have demonstrated that by optimizing model parameters the Delay can be controlled and reduced effectively.

Dielectronic recombination experiment of Na-like Kr<sup>25+</sup> at the heavy ion storage ring CSRe

The experimental study of precision spectroscopy of dielectronic recombination (DR) of highly charged ions is not only important for astronomical plasmas and fusion plasmas, but also can be used as a new precision spectroscopy method to test the strong-field quantum electrodynamic effect, measure isotope shift and extract the radius of atomic nuclei. An specially designed electron beam energy detuning system for electron-ion recombination precision spectroscopy experiments has been installed at the heavy ion storage ring CSRe in Lanzhou, where the electron-ion collision energy under the center-of-mass system can be detuned to 1 keV, and an independently-developed plastic scintillator detector and multiwire proportional chamber detector have been installed downstream of the electron cooler of the CSRe for the detection of recombined ions. The multiwire proportional chamber detector has the ability to non-destructively monitor the profile of the ion beam in real-time while acquiring the recombined ion counts, providing guidance for optimization of the ion beam. On this basis, the first test experiment of dielectronic recombination of Kr<sup>25+</sup> ions has been carried out at the CSRe, and the dielectronic recombination rate coefficients in the range of 0-70 eV at the frame of center-of-mass were measured. In order to fully understand the experimental results, we calculated the dielectronic recombination rate coefficients of the Kr<sup>25+</sup> ion using the Flexible Atomic Code (FAC) and made a detailed comparison with the experiment, which is in good agreement, and only the resonance energies of the two resonance peaks at 1.695 eV and 2.573 eV are significantly different. In addition, the DR resonance energies and intensities were obtained by fitting the experimental results in the range 0-35 eV, and we found that the transition 3s→4l (∆n=1) contributes significantly to the experimental spectral lines. Furthermore, we compare the plasma rate coefficients derived from the DR rate coefficients with those derived from the AUTOSTRUCTURE and FAC theories, which differ by 20 percent in the temperature range less than 10<sup>6</sup> K. The experimental results show that the DR experimental platform of the CSRe has very good stability and reproducibility, and can provide support for the future DR experiments of highly charged ion, i.e. for testing strong-field quantum electrodynamics effect and measuring the properties of atomic nuclei.

Effects of the third body (O and N) on the recombination of molecular nitrogen using quasi-classical trajectory methods

The investigation of the recombination reactions poses significant challenges due to the complexities involved in three-body collisions including simultaneous interaction of three bodies and multiple time scales. This work aims to investigate the complex dynamics involved in the recombination of atomic nitrogen to form molecular nitrogen using the quasi-classical trajectory method for the N3 and the N2O systems. The recombination pathways considered include a single-step direct reaction and a two-step mechanism that involves the formation of an intermediate with a finite lifetime which is stabilized through a subsequent collision with a third body. The latter is further classified as Lindemann or Chaperon mechanism based on the role played by the third body. The model uses a time-lag parameter to allow for a consistent treatment of all the reaction pathways. It is observed that the recombination probability is greatest for collisions involving low translational energies and low time lags. Recombination rate coefficients are evaluated using a novel rate coefficient expression developed for three-body collisions. Low temperature recombination rate coefficients, which can be computationally prohibitive to evaluate using traditional detailed balance methods, can be evaluated at a low computational cost. The recombination pathways are determined algorithmically by identifying the various interaction time scales. The direct mechanism is found to have a larger recombination probability, but a lower rate coefficient. The effect of the third body (oxygen and nitrogen atoms) on the recombination dynamics is explored in detail. It is observed that the recombination in excess of O atom leads to a larger population of the low internal energy states, as opposed to recombination in the excess of N atoms. The dominance of the Chaperon mechanism is seen in both systems.

State-specific slip boundary conditions in non-equilibrium gas flows: Theoretical models and their assessment

In this study, we develop and assess a new approach to modeling slip boundary conditions in gas mixtures with coupled state-to-state vibrational-chemical kinetics and surface physical and chemical processes: adsorption, desorption, vibrational energy transitions, and chemical reactions. Expressions for velocity slip, temperature jump, and mass fluxes of species are derived on the basis of the advanced kinetic boundary condition taking into account gain and loss of particles in surface processes; theoretical expressions for the mass fluxes obtained in the frame of various approaches are compared. The developed model is implemented to the fluid-dynamic solver for modeling dynamics and state-to-state air kinetics in the boundary layer near stagnation point. Several test cases corresponding to a various degree of gas rarefaction are considered. Recombination probabilities and effective reaction rates are calculated and compared to recent molecular-dynamic simulations; the proposed model yields the best agreement for the recombination rate coefficient. It is shown that temperature jump significantly affects fluid-dynamic parameters and surface heat flux; the role of heterogeneous reactions on the silica surface is weaker. In the surface heating, there is a competition between these two effects: whereas the temperature jump reduces the wall heat flux, surface reactions cause its increase, but to a lesser extent. It is concluded that the model proposed in this study describes self-consistently detailed vibrational kinetics, rarefaction effects, and surface reactions and can be applied both in continuum and slip flow regimes.

Recombination of vibrationally cold N2+ ions with electrons.

Recombination of vibrationally cold N2+ ions with electrons was studied in the temperature range of 140-250K. A cryogenic stationary afterglow apparatus equipped with cavity ring-down spectrometer and microwave diagnostics was utilized to probe in situ the time evolutions of number densities of particular rotational and vibrational states of N2+ ions and of electrons. The obtained value of the recombination rate coefficient for the recombination of the vibrational ground state of N2+ with electrons is αv=0 = (2.95 ± 0.50) × 10-7(300/T)(0.28±0.07)cm3s-1, while that for the first vibrationally excited state was inferred as αv=1 = (4 ± 4) × 10-8cm3s-1 at 250K.

Theoretical Investigation of Electron–Ion Recombination Process of Mg-like Gold

The L-shell dielectronic and trielectronic recombinations of highly charged Mg-like gold ions (Au67+) in the ground state 2s22p63s2 1S0 have been studied systematically. The recombination cross-sections and rate coefficients are carefully calculated for ∆n = 1 (2s/2p → 3l) transitions using a flexible atomic code based on the relativistic configuration interaction method and considering the Breit and QED corrections. Detailed resonance energies and resonance strengths are presented for the stronger resonances of the LMn (n = 3–12) series. It is found that the contributions of the trielectronic recombination to the total cross-section is about 13.75%, which cannot be neglected. For convenience of application, the plasma rate coefficients are also calculated and fitted to a semiempirical formula, and in the calculations, the contributions from the higher excited resonance groups n ≥ 13 are evaluated by an extrapolation method, which is about 2.93% of the total rate coefficient.

Near-thermo-neutral electron recombination of titanium oxide ions.

While the dissociative recombination (DR) of ground-state molecular ions with low-energy free electrons is generally known to be exothermic, it has been predicted to be endothermic for a class of transition-metal oxide ions. To understand this unusual case, the electron recombination of titanium oxide ions (TiO+) with electrons has been experimentally investigated using the Cryogenic Storage Ring. In its low radiation field, the TiO+ ions relax internally to low rotational excitation (≲100 K). Under controlled collision energies down to ∼2 meV within the merged electron and ion beam configuration, fragment imaging has been applied to determine the kinetic energy released to Ti and O neutral reaction products. Detailed analysis of the fragment imaging data considering the reactant and product excitation channels reveals an endothermicity for the TiO+ dissociative electron recombination of (+4 ± 10) meV. This result improves the accuracy of the energy balance by a factor of 7 compared to that found indirectly from hitherto known molecular properties. Conversely, the present endothermicity yields improved dissociation energy values for D0(TiO) = (6.824 ± 0.010)eV and D0(TiO+) = (6.832 ± 0.010)eV. All thermochemistry values were compared to new coupled-cluster calculations and found to be in good agreement. Moreover, absolute rate coefficients for the electron recombination of rotationally relaxed ions have been measured, yielding an upper limit of 1 × 10-7 cm3 s-1 for typical conditions of cold astrophysical media. Strong variation of the DR rate with the TiO+ internal excitation is predicted. Furthermore, potential energy curves for TiO+ and TiO have been calculated using a multi-reference configuration interaction method to constrain quantum-dynamical paths driving the observed TiO+ electron recombination.

Population of ground and lowest excited states of sulfur via the dissociative recombination of SH+ in the diffuse interstellar medium

ABSTRACT Our previous study on dissociative recombination of ground state SH+ through 2Π states of SH is extended by taking into account the contribution of 4Π states recently explored by quantum chemistry methods. Multichannel quantum defect theory is employed for the computation of cross sections and rate coefficients for dissociative recombination, but also for vibrational excitation. Furthermore, we produce the atomic yields resulting from recombination, quantifying the generation of sulfur atoms in their ground (3P) and lowest excited (1D) states, respectively.

Dielectronic recombination rate coefficients of carbon-like Kr30+

Dielectronic recombination (DR) rate coefficients for carbon-like Kr30+ have been measured over the collision energy of 0–60 eV using the heavy-ion storage ring CSRe at the Institute of Modern Physics in Lanzhou, China. The present DR spectrum covers the resonances associated with the , and core excitations. The corresponding DR resonance energies and strengths have been calculated by using the flexible atomic code (FAC) to understand the measured results. An overall agreement has been obtained between the experiment and theory, except for the data at the collision energies below 7 eV and in 35–38 eV, where the electronic correlation effect is strong. In particular, the resonances from the trielectronic recombination due to have been identified with the help of the FAC calculation. Temperature-dependent plasma recombination rate coefficients were derived from the measured DR rate coefficients for the temperature range 103–107 K and compared with our FAC calculations as well as the previous AUTOSTRUCTURE calculations by Zatsarinny et al (2004 Astron. Astrophys. 417 1173–81). The FAC and AUTOSTRUCTURE calculations are in good agreement with the presently derived plasma rate coefficients. The present work provides the benchmark data for astrophysical and laboratory plasma modeling.

Absolute dielectronic recombination rate coefficients of highly charged ions at the storage ring CSRm and CSRe

Dielectronic recombination (DR) is one of the dominant electron–ion recombination mechanisms for most highly charged ions (HCIs) in cosmic plasmas, and thus, it determines the charge state distribution and ionization balance therein. To reliably interpret spectra from cosmic sources and model the astrophysical plasmas, precise DR rate coefficients are required to build up an accurate understanding of the ionization balance of the sources. The main cooler storage ring (CSRm) and the experimental cooler storage ring (CSRe) at the Heavy-Ion Research Facility in Lanzhou (HIRFL) are both equipped with electron cooling devices, which provide an excellent experimental platform for electron-ion collision studies for HCIs. Here, the status of the DR experiments at the HIRFL-CSR is outlined, and the DR measurements with Na-like Kr25+ ions at the CSRm and CSRe are taken as examples. In addition, the plasma recombination rate coefficients for Ar12+, 14+, Ca14+, 16+, 17+, Ni19+, and Kr25+ ions obtained at the HIRFL-CSR are provided. All the data presented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00113.00092.

Biosignature line ratios of [P ii] in exoplanetary and nebular environments

ABSTRACT Being the backbone element of deoxyribonucleic acid, phosphorus is a key component in the search for life in the Universe. To aid in its detection, we present line emissivity ratios for the five lowest-lying forbidden [P ii] transitions, namely those among the levels 3s23p2(3P0, 3P1, 3P2, 1D2, and 1S0). The wavelengths range between 0.44 and 70 µm, and several lie within the spectroscopic domain observable with the JWST. These line ratios have been calculated using a new collisional-radiative-cascade (CRR) model combining calculated collision strengths and level-specific recombination rate coefficients, with both data sets computed using the accurate Breit–Pauli R-matrix method. The CRR model includes a new scheme for (e + ion) recombination to emission-line formation. We compare its effect to models incorporating only electron-impact excitation and spontaneous radiative decay. We find that (e + ion) recombination has a significant impact on all line ratios, and represents a major improvement in physical accuracy of emission-line models.

High photogeneration and low recombination rate leading to high-performance non-fullerene organic solar cells

TPV/TPC, EQE/IQE measurements and simulation modeling reveal that the high-performance organic solar cells originate from both an increasing charge generation and a reducing recombination rate coefficient, with PCE potentially exceeding 21%.

Dielectronic recombination data for dynamic finite-density plasmas

Dielectronic (DR) and radiative (RR) recombination rate coefficients for 19 phosphorous-like ions, between S+ and W59+, forming sulphur-like ions, have been calculated as part of the assembly of a level-resolved database necessary for modelling dynamic finite-density plasmas, within the generalized collisional-radiative framework. Calculations have been performed within the multi-configuration Breit-Pauli approximation using the code AUTOSTRUCTURE, from both ground and metastable initial states, in both LS coupling and intermediate coupling (IC), allowing for ∆n = 0 and ∆n = 1 core-excitations from the ground and metastable levels involved in the DR processes. Partial and total DR coefficients have been calculated for S+ to Zn15+, as well as Kr21+, Mo27+, Xe39+, and W59+. Results for a selection of ions from the sequence are discussed in this paper, and are compared with the existing theoretical and experimental results. Dielectronic recombination results for the Fe11+ resonance spectrum associated with ∆n = 0 core excitations are compared with those from merged-beam measurements. Fits to the total (IC) DR and RR rate coefficients are presented in tabular form. Partial LS and IC DR and RR rate coefficients are archived in the open access database OPEN-ADAS in standard ADAS adf09 and adf48 file formats, respectively.

Control of Dy164 Bose-Einstein condensate phases and dynamics with dipolar anisotropy

We investigate the quench dynamics of quasi-one and two dimensional dipolar Bose-Einstein condensates (dBEC) of $^{164}$Dy atoms under the influence of a fast rotating magnetic field. The magnetic field thus controls both the magnitude and sign of the dipolar potential. We account for quantum fluctuations, critical to formation of exotic quantum droplet and supersolid phases in the extended Gross-Pitaevskii formalism, which includes the so-called Lee-Huang-Yang (LHY) correction. An analytical variational ansatz allows us to obtain the phase diagrams of the superfluid and droplet phases. The crossover from the superfluid to the supersolid phase and to single and droplet arrays is probed with particle number and dipolar interaction. The dipolar strength is tuned by rotating the magnetic field with subsequent effects on phase boundaries. Following interaction quenches across the aforementioned phases, we monitor the dynamical formation of supersolid clusters or droplet lattices. We include losses due to three-body recombination over the crossover regime, where the three-body recombination rate coefficient scales with the fourth power of the scattering length ($a_s$) or the dipole length ($a_{dd}$). For fixed values of the dimensionless parameter, $\epsilon_{dd} = a_{dd}/a_s$, tuning the dipolar anisotropy leads to an enhancement of the droplet lifetimes.

Experimental Determination of the Dissociative Recombination Rate Coefficient for Rotationally Cold CH+ and Its Implications for Diffuse Cloud Chemistry

Observations of CH+ are used to trace the physical properties of diffuse clouds, but this requires an accurate understanding of the underlying CH+ chemistry. Until this work, the most uncertain reaction in that chemistry was dissociative recombination (DR) of CH+. Using an electron–ion merged-beams experiment at the Cryogenic Storage Ring, we have determined the DR rate coefficient of the CH+ electronic, vibrational, and rotational ground state applicable for different diffuse cloud conditions. Our results reduce the previously unrecognized order-of-magnitude uncertainty in the CH+ DR rate coefficient to ∼20% and are applicable at all temperatures relevant to diffuse clouds, ranging from quiescent gas to gas locally heated by processes such as shocks and turbulence. Based on a simple chemical network, we find that DR can be an important destruction mechanism at temperatures relevant to quiescent gas. As the temperature increases locally, DR can continue to be important up to temperatures of ∼600 K, if there is also a corresponding increase in the electron fraction of the gas. Our new CH+ DR rate-coefficient data will increase the reliability of future studies of diffuse cloud physical properties via CH+ abundance observations.

Total and state-specific electron-ion recombination rates and photoionization of Ca XV for high temperature plasma

The inverse processes of photoionization and electron-ion recombination of (Ca XV + hν↔ Ca XVI + e), are studied using the unified method of Nahar and Pradhan for a large number of bound states, 582 in total with n≤10 and l≤9, for their characteristic features particularly in the high energy region that can impact plasmas at high temperature. The unified method which implements close-coupling (CC) approximation and the R-matrix method includes both the radiative recombination (RR) and dielectronic recombination (DR) for the total recombination and yields self-consistent sets of results for both the inverse processes. The present study, carried out in large scale computations, employs a large CC wavefunction expansion of 29 LS states belonging to n=2,3 complexes of the core ion Ca XVI, and appeared to be the first detailed study for the electron-ion recombination of the ion. The present results include (i) state-specific photoionization cross sections (σPI(nLS)) leaving the core ion in the ground state, (ii) state-specific recombination rate coefficients (αRC(nLS,T)) that include both the RR and DR, (iii) total recombination rate coefficients (αRC) with temperature that include contributions of infinite number of recombined states, and (iv) a spectrum of total electron-ion recombination cross sections and rates with respect to photoelectron energy. The study finds that the core ion excitations from the ground to high n=3 states have introduced Rydberg resonances which are stronger and Seaton resonances which are more enhanced in the high energy region of σPI compared to those introduced by excitations to the n=2 states. Such features have contributed to the shape of the temperature dependent state-specific αRC(nLS,T), and have resulted in three DR bumps/ shoulders in the high temperature region of the total αRC(T) where the third DR bump at temperature of ∼ 4 MK has raised αRC(T) at high T above all previous rates. The results are expected to be accurate within 10%–15% and provide more complete and precise spectral modelings for the high temperature plasmas where the highly charged Ca XV is more abundant.