State-selective charge exchange cross sections in collisions of highly-charged sulfur ions with helium and molecular hydrogen

The state-selective cross section data are useful for understanding and modeling the x-ray emission in celestial observations.In the present work,using the cold target recoil ion momentum spectroscopy,for the first time we investigated the state-selective single electron capture processes for S^(q+)–He and H_(2)(q=11–15)collision systems at an impact energy of q×20 keV and obtained the relative state-selective cross sections.The results indicate that only a few principal quantum states of the projectile energy level are populated in a single electron capture process.In particular,the increase of the projectile charge state leads to the population of the states with higher principal quantum numbers.It is also shown that the experimental averaged n-shell populations are reproduced well by the over-barrier model.The database is openly available in Science Data Bank at 10.57760/sciencedb.j00113.00091.

Theory of X-Ray Anisotropy and Polarization Following the Dielectronic Recombination of Initially Hydrogen-Like Ions

The angular distribution and polarization of the x-ray photoemission of highly charged helium-like ions is studied following the K-LL dielectronic recombination of initially hydrogen-like ions.Calculation is carried out within the framework of the density matrix theory combined with the multiconfiguration Dirac-Fock approach.Attention is paid to magnetic sublevel alignment in the resonant intermediate state and to its nonuniform radiative decay processes.It is shown that the Breit interaction between the incident and target electrons plays a significant role for the alignment of the resonant state and thus causes a substantial change in the x-ray emission characteristic,when compared to the incorporation of only the(non-relativistic)Coulomb interaction.The most prominent difference in alignment parameter is found in the 2s2p_(1/2) J=1 resonant state for a wide range of atomic numbers from 9 to 92.For this resonant state of helium-like ions,the Breit interaction becomes significant for ions with nuclear charge Z~30 already.

Dielectronic Recombination of Sn^10＋ Ions and Related Satellite Spectra

Based on the multi-configuration Dirac-Fock method, theoretical calculations are carried out for the dielectronic recombination （DR） rate coefficients and the collision excitation rate coefficients of Sn^10＋ ions. It is found that the total DR rate coefficient has its maximum value between 10eV and 100eV and is greater than either the radiative recombination or three-body recombination rate coefficients （the number of free electrons per unit is 10^21 cm^3） for the ease of Te 〉 1 eV. Therefore, DR can strongly influence the ionization balance of laser produced multi-charged tin ions. The related dieleetronie satellite cannot be ignored at low temperature Te 〈 5 eV.

Differences between two methods to derive a nonlinear Schrödinger equation and their application scopes

The present paper chooses a dusty plasma as an example to numerically and analytically study the differences between two different methods of obtaining nonlinear Schrödinger equation(NLSE).The first method is to derive a Korteweg–de Vries(KdV)-type equation and then derive the NLSE from the KdV-type equation,while the second one is to directly derive the NLSE from the original equation.It is found that the envelope waves from the two methods have different dispersion relations,different group velocities.The results indicate that two envelope wave solutions from two different methods are completely different.The results also show that the application scope of the envelope wave obtained from the second method is wider than that of the first one,though both methods are valuable in the range of their corresponding application scopes.It is suggested that,for other systems,both methods to derive NLSE may be correct,but their nonlinear wave solutions are different and their application scopes are also different.

Theoretical investigation of electron-impact ionization of W8+ion

The electron-impact single ionization cross section for W8+ion has been calculated using flexible atomic code,employing the level-to-level distorted-wave approximation.This calculations takes into account contributions form both direct ionization(DI)and excitation autoionization(EA).However,the theoretical predictions,based solely on the ground state,tends to underestimate the experimental values.This discrepancy can be mitigated by incorporation contributions from excited states.We extended the theoretical analysis,including the contributions from the long-lived metastable states with lifetimes exceeding 1.5×10-5 s.We employed two statistical models to predict the fraction of ground state ions in the parent ion beam.Assuming a 79%fraction of parent ions in ground configuration,the experiment measurements align with the predictions.Furthermore we derived the theoretical cross-section for the ground state as correlated plasma rate coefficients,and compared it with existing data.Despite the uncertainty in our calculations,our results are still acceptable.

Accurate method based on data filtering for quantitative multi-element analysis of soils using CF-LIBS

To obtain more stable spectral data for accurate quantitative analysis of multi-element,especially for the large-area in-situ elements detection of soils, we propose a method for a multielement quantitative analysis of soils using calibration-free laser-induced breakdown spectroscopy(CF-LIBS) based on data filtering. In this study, we analyze a standard soil sample doped with two heavy metal elements, Cu and Cd, with a specific focus on the line of Cu I324.75 nm for filtering the experimental data of multiple sample sets. Pre-and post-data filtering,the relative standard deviation for Cu decreased from 30% to 10%, The limits of detection(LOD)values for Cu and Cd decreased by 5% and 4%, respectively. Through CF-LIBS, a quantitative analysis was conducted to determine the relative content of elements in soils. Using Cu as a reference, the concentration of Cd was accurately calculated. The results show that post-data filtering, the average relative error of the Cd decreases from 11% to 5%, indicating the effectiveness of data filtering in improving the accuracy of quantitative analysis. Moreover, the content of Si, Fe and other elements can be accurately calculated using this method. To further correct the calculation, the results for Cd was used to provide a more precise calculation. This approach is of great importance for the large-area in-situ heavy metals and trace elements detection in soil, as well as for rapid and accurate quantitative analysis.

Research on batch multielement rapid quantitative analysis based on the standard curve-assisted calibration-free laserinduced breakdown spectroscopy method

This study proposes a batch rapid quantitative analysis method for multiple elements by combining the advantages of standard curve(SC)and calibration-free laser-induced breakdown spectroscopy(CF-LIBS)technology to achieve synchronous,rapid,and accurate measurement of elements in a large number of samples,namely,SC-assisted CF-LIBS.Al alloy standard samples,divided into calibration and test samples,were applied to validate the proposed method.SC was built based on the characteristic line of Pb and Cr in the calibration sample,and the contents of Pb and Cr in the test sample were calculated with relative errors of 6%and 4%,respectively.SC built using Cr with multiple characteristic lines yielded better calculation results.The relative contents of ten elements in the test sample were calculated using CF-LIBS.Subsequently,the SC-assisted CF-LIBS was executed,with the majority of the calculation relative errors falling within the range of 2%-5%.Finally,the Al and Na contents of the Al alloy were predicted.The results demonstrate that it effectively enables the rapid and accurate quantitative analysis of multiple elements after a single-element SC analysis of the tested samples.Furthermore,this quantitative analysis method was successfully applied to soil and Astragalus samples,realizing an accurate calculation of the contents of multiple elements.Thus,it is important to advance the LIBS quantitative analysis and its related applications.

Laser-induced breakdown spectroscopy as a method for millimeter-scale inspection of surface flatness

A non-contact method for millimeter-scale inspection of material surface flatness via Laser-Induced Breakdown Spectroscopy(LIBS)is investigated experimentally.The experiment is performed using a planished surface of an alloy steel sample to simulate its various flatness,ranging from 0 to 4.4 mm,by adjusting the laser focal plane to the surface distance with a step length of 0.2 mm.It is found that LIBS measurements are successful in inspecting the flatness differences among these simulated cases,implying that the method investigated here is feasible.It is also found that,for achieving the inspection of surface flatness within such a wide range,when univariate analysis is applied,a piecewise calibration model must be constructed.This is due to the complex dependence of plasma formation conditions on the surface flatness,which inevitably complicates the inspection procedure.To solve the problem,a multivariate analysis with the help of Back-Propagation Neural Network(BPNN)algorithms is applied to further construct the calibration model.By detailed analysis of the model performance,we demonstrate that a unified calibration model can be well established based on BPNN algorithms for unambiguous millimeter-scale range inspection of surface flatness with a resolution of about 0.2 mm.

Estimating the grain size of microgranular material using laser-induced breakdown spectroscopy combined with machine learning algorithms

Recent work has validated a new method for estimating the grain size of microgranular materials in the range of tens to hundreds of micrometers using laser-induced breakdown spectroscopy(LIBS).In this situation,a piecewise univariate model must be constructed to estimate grain size due to the complex dependence of the plasma formation environment on grain size.In the present work,we tentatively construct a unified calibration model suitable for LIBS-based estimation of those grain sizes.Specifically,two unified multivariate calibration models are constructed based on back-propagation neural network(BPNN)algorithms using feature selection strategies with and without considering prior information.By detailed analysis of the performances of the two multivariate models,it was found that a unified calibration model can be successfully constructed based on BPNN algorithms for estimating the grain size in the range of tens to hundreds of micrometers.It was also found that the model constructed with a priorguided feature selection strategy had better prediction performance.This study has practical significance in developing the technology for material analysis using LIBS,especially when the LIBS signal exhibits a complex dependence on the material parameter to be estimated.

Structures and electronic properties of Si_m N_(8-m)(0

The geometries, electronic structures and related properties of SimN8-m（0 〈 m 〈 8） clusters are studied using density functional theory （DFT） with hybrid functional B3LYP. The calculated results reveal several trends. For any stoichiometric clusters, the lowest energy isomers with an alteration of N and Si atoms are favourable in energy if the numbers of Si and N atoms are large enough to form ... Si N-Si-N... alternative chains. The bond lengths of single Si-N bonds are very close to the corresponding values of the bulk and other SiN clusters. The geometries for N-rich and Si4N4 clusters are planar structures, but three-dimensional structures are favourable in energy for Si-rich clusters. With the increase of m, the isotropic polarizability and average polarizability increase, the total binding energies generally decrease, the HOMO-LUMO gap and vertical ionization potential oscillate with increasing number of valence electrons, and their values with even valence electrons are larger than those with odd valence electrons. The atomic charges, IR and Raman properties are also reported.

Geometry, Electronic Structure, and Related Properties of Dye Sensitizer： 3,4-bis[1- （carboxymethyl）-3-indolyl]- 1 H-pyrrole-2,5-dione

The geometry, electronic structure, polarizability and hyperpolarizability of dye sensitizer 3,4-bis[1-（carboxymethyl）-3-indolyl]-1H-pyrrole-2,5-dione （BIMCOOH） were studied using density functional theory （DFT） with hybrid functional B3LYP, and the electronic absorption spectra were investigated using semi-empirical quantum chemical method ZINDO-1 and time-dependent DFT （TDDFT）. The results of natural bond orbital suggest that the natural charges of the dione, indole, and acetic groups are about 0.15e, -0.29e, and 0.44e, respectively. The calculated isotropic polarizability, polarizability anisotropy invariant and hyperpolarizability are 305.4, 188.3, and 1155.4 a.u., respectively. The electronic absorption spectral features in visible and near-UV region were assigned to the π→π^＊ transition due to the qualitative agreement between the experiment and the TDDFT calculations, and the transitions of the excited states 9-11 related to photoinduced intramolecular charge transfer processes. The analysis of electronic structure and UV-Vis absorption indicates that the indole groups primarily contributed sensitization of photo-to-currency conversion processes, and the interracial electron transfer between semiconductor TiO2 electrode and dye sensitizer BIMCOOH are electron injection processes from excited states of the dyes to the semiconductor conduction band.

4-1 Dielectronic Recombination of 36Ar15+ and 112Sn34+ at the CSRm

The total recombination rate coefficients of lithium-like 36Ar15+ ions have been measured by employing the electron-ion merged-beams technique at the heavy ion storage ring CSRm at IMP[1]. Fig. 1 (a) shows the DR spectrum for electron energy from 0 to 35 eV in the center-of-mass (c.m.) frame involving all the DR resonances associated with 2s1=2!2p1=2 and 2s1=2!2p3=2 excitations.

Role of the dressed and bound states on below-threshold harmonic generation of He atom

High-order harmonic generation below ionization threshold of He atom in the laser field is investigated by solving the three-dimensional time-dependent Schrodinger equation. An angular momentum-dependent model potential of He atom was used for getting the accurate energy levels of singlet states. The satellite-peak structures of the below-threshold harmonic generation(BTHG) of He are observed. We analyze the emission properties of the BTHG by employing a synchrosqueezing transform technique. We find that the satellite-peak structures have two types related to two kinds of transitions. One is the transition of the dressed states of the excited states, the other is the transition between the excited states and the ground state in the field-free case. Furthermore, our results show that the maximum Stark shift of the 2 p state is about 0.9 Up(penderomotive energy), and that of the 4 p state is about 1.0 Up. It indicates that the energy difference between some satellite-and main-peaks of the BTHG can be used to measure the maximum Stark shift of the excited states of He atom in the laser field.

Positions and Widths of Anticrossings for Potassium Rydberg Stark States

The B-spline expansion technique is applied to study the anticrossings for potassium Rydberg states in a static electric field. The results of our calculation indicate that the antierossings are caused mainly by the core interaction or by the fine structure interaction. Our results for the positions and the widths of the anticrossings are in good agreement with experimental data.

Photoionization of 1s Electron and Corresponding Shake-Up Process in Ground and Excited Lithium Atoms

The cross sections of the ls electron photoionization and corresponding shake-up processes for Li atoms in the ground state 1s^22s and excited states 1s^22p, 1s^23s, 1s^23p and 1s^23d are calculated using the multi-configuration Dirac-Fock method. The latest experimental photoelectron spectrum at hv= 100 eV [Cubaynes D et al. Phys. Rev. Lett. 99 （2007） 213004] has been reproduced by the present theoretical investigation excellently. The relative intensity of the shake-up satellites shows that the effects of correlation and relaxation become more important for the higher excited states of the lithium atom, which are explained very well by the spatial overlap of the initial and final state wavefunctions. In addition, strong dependence of the cross section on the atomic orbitals of the valence electrons are found, especially near the threshold.

Efficient manipulation of terahertz waves by multi-bit coding metasurfaces and further applications of such metasurfaces

Benefiting from the unprecedented superiority of coding metasurfaces at manipulating electromagnetic waves in the microwave band,in this paper,we use the Pancharatnam-Berry(PB)phase concept to propose a high-efficiency reflectivetype coding metasurface that can arbitrarily manipulate the scattering pattern of terahertz waves and implement many novel functionalities.By optimizing the coding sequences,we demonstrate that the designed 1-,2-,and 3-bit coding metasurfaces with specific coding sequences have the strong ability to control reflected terahertz waves.The two proposed1-bit coding metasurfaces demonstrate that the reflected terahertz beam can be redirected and arbitrarily controlled.For normally incident x-and y-polarized waves,a 10 d B radar cross-section(RCS)reduction can be achieved from 2.1 THz to5.2 THz using the designed 2-bit coding metasurface.Moreover,two kinds of orbital angular momentum(OAM)vortex beams with different moduli are generated by a coding metasurface using different coding sequences.Our research provides a new degree of freedom for the sophisticated manipulation of terahertz waves,and contributes to the development of metasurfaces towards practical applications.

A Comparative Study of the Laser Induced Breakdown Spectroscopy in Single- and Collinear Double-Pulse Laser Geometry

Two Q-switched Nd：YAG lasers at 1064 nm wavelength have been employed to produce plasmas on aluminum-based alloy in single- and collinear double-pulse laser induced breakdown spectroscopy （LIBS）. Time resolved technique was used for detecting emission sig- nal by spectrometer equipped with ICCD detector. The intensity calibration of spectral response was performed by using deuterium and tungsten halogen lamps. Time evolution of the plasma temperature and electron number density was investigated in single- and collinear double-pulse experiments. Based on the investigation of plasma parameters, the emission signal enhancement mechanism was discussed qualitatively.

Effects of electron correlation and the Breit interaction on one- and two-electron one-photon transitions in double K hole states of He-like ions(10 ≤ Z ≤ 47)

The x-ray energies and transition rates associated with single and double electron radiative transitions from the double K hole state 2s2p to the 1s2s and 1s^2 configurations of 11 selected He-like ions(10 ≤ Z ≤ 47) are calculated using the fully relativistic multi-configuration Dirac–Fock method(MCDF). An appropriate electron correlation model is constructed with the aid of the active space method, which allows the electron correlation effects to be studied efficiently. The contributions of the electron correlation and the Breit interaction to the transition properties are analyzed in detail. It is found that the two-electron one-photon(TEOP) transition is correlation sensitive. The Breit interaction and electron correlation both contribute significantly to the radiative transition properties of the double K hole state of the He-like ions. Good agreement between the present calculation and previous work is achieved. The calculated data will be helpful to future investigations on double K hole decay processes of He-like ions.

Spatial-Resolved Measurement and Analysis of Extreme-Ultraviolet Emission Spectra from Laser-Produced Al Plasmas

Extreme ultraviolet emission from laser-produced A1 plasma is experimentally and theoretically investigated. Spatial-evolution emission spectra are measured by using the spatio-temporally resolved laser produced plasma technique. Based on the assumptions of a normalized Boltzmann distribution among the excited states and a steady-state collisional-radiative model, we succeed in reproducing the spectra at different detection positions, which are in good agreement with experiments. The decay curves about the electron temperature and electron density, as well as the fractions of individual A1 ions and average ionization stage with increasing the detection distance are obtained by comparison with the experimental measurements. These parameters are critical points for deeply understanding the expanding and cooling of laser produced plasmas in vacuum.

Theoretical study on K,L,and M X-ray transition energies and rates of neptunium and its ions

The transition energies and electric dipole （El） transition rates of the K, L, and M lines in neutral Np have been theoretically determined from the MultiConfiguration Dirac-Fock （MCDF） method. In the calculations, the contributions from Breit interaction and quantum electrodynamics （QED） effects （vacuum polarization and self-energy）, as well as nu- clear finite mass and volume effects, are taken into account. The calculated transition energies and rates are found to be in good agreement with other experimental and theoretical results. The accuracy of the results is estimated and discussed. Furthermore, we calculated the transition energies of the same lines radiating from the decaying transitions of the K-, L-, and M-shell hole states of Np ions with the charge states Np1＋ to Np6＋ for the first time. We found that for a specific line, the corresponding transition energies relating to all the Np ions are almost the same; it means the outermost electrons have a very small influence on the inner-shell transition processes.