Recension of boron nitride phase diagram based on high-pressure and high-temperature experiments

Cubic boron nitride and hexagonal boron nitride are the two predominant crystalline structures of boron nitride.They can interconvert under varying pressure and temperature conditions.However,this transformation requires overcoming significant potential barriers in dynamics,which poses great difficulty in determining the c-BN/h-BN phase boundary.This study used high-pressure in situ differential thermal measurements to ascertain the temperature of h-BN/c-BN conversion within the commonly used pressure range(3-6 GPa)for the industrial synthesis of c-BN to constrain the P-T phase boundary of h-BN/c-BN in the pressure-temperature range as much as possible.Based on the analysis of the experimental data,it is determined that the relationship between pressure and temperature conforms to the following equation:P=a+1/bT.Here,P denotes the pressure(GPa)and T is the temperature(K).The coefficients are a=-3.8±0.8 GPa and b=229.8±17.1 GPa/K.These findings call into question existing high-pressure and high-temperature phase diagrams of boron nitride,which seem to overstate the phase boundary temperature between c-BN and h-BN.The BN phase diagram obtained from this study can provide critical temperature and pressure condition guidance for the industrial synthesis of c-BN,thus optimizing synthesis efficiency and product performance.

Weak Fault Feature Extraction of the Rotating Machinery Using Flexible Analytic Wavelet Transform and Nonlinear Quantum Permutation Entropy

Addressing the challenges posed by the nonlinear and non-stationary vibrations in rotating machinery,where weak fault characteristic signals hinder accurate fault state representation,we propose a novel feature extraction method that combines the Flexible Analytic Wavelet Transform(FAWT)with Nonlinear Quantum Permutation Entropy.FAWT,leveraging fractional orders and arbitrary scaling and translation factors,exhibits superior translational invariance and adjustable fundamental oscillatory characteristics.This flexibility enables FAWT to provide well-suited wavelet shapes,effectively matching subtle fault components and avoiding performance degradation associated with fixed frequency partitioning and low-oscillation bases in detecting weak faults.In our approach,gearbox vibration signals undergo FAWT to obtain sub-bands.Quantum theory is then introduced into permutation entropy to propose Nonlinear Quantum Permutation Entropy,a feature that more accurately characterizes the operational state of vibration simulation signals.The nonlinear quantum permutation entropy extracted from sub-bands is utilized to characterize the operating state of rotating machinery.A comprehensive analysis of vibration signals from rolling bearings and gearboxes validates the feasibility of the proposed method.Comparative assessments with parameters derived from traditional permutation entropy,sample entropy,wavelet transform(WT),and empirical mode decomposition(EMD)underscore the superior effectiveness of this approach in fault detection and classification for rotating machinery.

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.

On the Performances of Estimating Stellar Atmospheric Parameters from CSST Broad-band Photometry

Deriving atmospheric parameters of a large sample of stars is of vital importance to understand the formation and evolution of the Milky Way.Photometric surveys,especially those with near-ultraviolet filters,can offer accurate measurements of stellar parameters,with the precision comparable to that from low/medium resolution spectroscopy.In this study,we explore the capability of measuring stellar atmospheric parameters from Chinese Space Station Telescope(CSST)broad-band photometry(particularly in the near-ultraviolet bands),based on synthetic colors derived from model spectra.We find that colors from the optical and near-ultraviolet filter systems adopted by CSST show significant sensitivities to the stellar atmospheric parameters,especially the metallicity.According to our mock data tests,the precision of the photometric metallicity is quite high,with typical values of0.17 and 0.20 dex for dwarf and giant stars,respectively.The precision of the effective temperature estimated from broad-band colors are within 50 K.

FAST Observations of Four Comets to Search for the Molecular Line Emissions between 1.0 and 1.5 GHz Frequencies

We used the Five-hundred-meter Aperture Spherical radio Telescope(FAST)to search for the molecular emissions in the L-band between 1.0 and 1.5 GHz toward four comets,C/2020 F3(NEOWISE),C/2020 R4(ATLAS),C/2021 A1(Leonard),and 67P/Churyumov-Gerasimenko during or after their perihelion passages.Thousands of molecular transition lines fall in this low-frequency range,many attributed to complex organic or prebiotic molecules.We conducted a blind search for the possible molecular lines in this frequency range in those comets and could not identify clear signals of molecular emissions in the data.Although several molecules have been detected at high frequencies of greater than100 GHz in comets,our results confirm that it is challenging to detect molecular transitions in the L-band frequency ranges.The non-detection of L-band molecular lines in the cometary environment could rule out the possibility of unusually strong lines,which could be caused by the masers or non-LTE effects.Although the line strengths are predicted to be weak,for FAST,using the ultra-wide bandwidth receiver and improving the radio frequency interference environments would enhance the detectability of those molecular transitions at low frequencies in the future.

Long-term Properties of Aeolian Sand-magnesium Oxychloride Cement Composites and Its Engineering Application

In order to prepare a new material with long-term stable performance,low cost,easy construction,and ecological environmental protection,the influence of aeolian sand on the compressive and flexural strength as well as micro morphology and phase composition of magnesium oxychloride cement(MOC)was studied.The experimental results indicate that,with the increase of content of doping sand,the compressive strength and flexural strength of MOC decrease significantly.However,when the quality ratio of aeolian sand and light burned magnesia powder is 1:8,the performance meets the actual engineering needs.Namely,the compressive strength of MOC is not less than 18 MPa,and flexural strength is not less than 4 MPa.Meanwhile,within 12 months of age,the compressive strength and flexural strength are stable.There is no obvious change in phase composition,and its main phase is still 5·1·8 phase.Microscopic appearance changes from needle-like to gel-like shape.Based on engineering applications,it is found that when the novel sand-fixing material is used in the field for one year,its macroscopic feature is not damaged,compressive strength and flexural strength are also more stable,phase composition negligibly changes,and micro morphology has also been turned into be gellike shape.These further confirm the long-term stability and weather resistance of MOC doping aeolian sand,providing theoretical and technical support for the widely application of MOC in the field of sand fixation in the future.

The Coordinated Influence of Indian Ocean Sea Surface Temperature and Arctic Sea Ice on Anomalous Northeast China Cold Vortex Activities with Different Paths during Late Summer

The Northeast China cold vortex(NCCV)during late summer(from July to August)is identified and classified into three types in terms of its movement path using machine learning.The relationships of the three types of NCCV intensity with atmospheric circulations in late summer,the sea surface temperature(SST),and Arctic sea ice concentration(SIC)in the preceding months,are analyzed.The sensitivity tests by the Community Atmosphere Model version 5.3(CAM5.3)are used to verify the statistical results.The results show that the coordination pattern of East Asia-Pacific(EAP)and Lake Baikal high pressure forced by SST anomalies in the North Indian Ocean dipole mode(NIOD)during the preceding April and SIC anomalies in the Nansen Basin during the preceding June results in an intensity anomaly for the first type of NCCV.While the pattern of high pressure over the Urals and Okhotsk Sea and low pressure over Lake Baikal during late summer-which is forced by SST anomalies in the South Indian Ocean dipole mode(SIOD)in the preceding June and SIC anomalies in the Barents Sea in the preceding April-causes the intensity anomaly of the second type.The third type is atypical and is not analyzed in detail.Sensitivity tests,jointly forced by the SST and SIC in the preceding period,can well reproduce the observations.In contrast,the results forced separately by the SST and SIC are poor,indicating that the NCCV during late summer is likely influenced by the coordinated effects of both SST and SIC in the preceding months.

A fresh class of superconducting and hard pentaborides

On the basis of the current theoretical understanding of boron-based hard superconductors under ambient conditions,numerous studies have been conducted with the aim of developing superconducting materials with favorable mechanical properties using boron-rich compounds.In this paper,first-principles calculations reveal the existence of an unprecedented family of tetragonal pentaborides MB_(5)(M=Na,K,Rb,Ca,Sr,Ba,Sc,and Y),comprising B_(20)cages and centered metal atoms acting as stabilizers and electron donors to the boron sublattice.These compounds exhibit both superconductivity and high hardness,with the maximum superconducting transition temperature T_(c)of 18.6 K being achieved in RbB5 and the peak Vickers hardness Hv of 35.1 GPa being achieved in KB_(5)at 1 atm.The combination of these properties is particularly evident in KB_(5),RbB5,and BaB5,with Tc values of∼14.7,18.6,and 16.3 K and H_(v)values of∼35.1,32.4,and 33.8 GPa,respectively.The results presented here reveal that pentaborides can provide a framework for exploring and designing novel superconducting materials with favorable hardness at achievable pressures and even under ambient conditions.

Electronic Structure and Physical Characteristics of Dioxin Under External Electric Field

Dioxin is a highly toxic and caustic substance,which widely existed in the atmosphere,soil and water with tiny particles.Dioxin pollution has become a major problem that concerns the survival of mankind,which must be strictly controlled.The bond length,bond angle,energy,dipole moment,orbital energy level distribution of dioxin under the external field are investigated using DFT(density functional theory)on basis set level of B3LYP/6-31G(d,p).The results indicate that with the increase of the electric field,the length of one Carbon-Oxygen bond increases while another Carbon-Oxygen bond decreases.The energy gradually decreases with the electric field,while the change of the dipole moment has an opposite trend.In the infrared spectra,the vibration frequency decreases with the electric field increasing and shows an obvious red shift.Moreover,the ultraviolet-visible absorption spectra under different electric fields are analyzed with TD-DFT(time-dependent density functional theory)method.The wavelength of the strongest absorption peak increases and occurs red shift with the increase of the electric field.All the above results can provide reference for further research on the properties of dioxin under different external electric field.

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.

Structure prediction, electronic, and mechanical properties of alkali metal MB_(12)(=Be, Mg, Ca, Sr) from first principles

Using the particle swarm optimization algorithm on structural search methods, we focus our crystal structures search on boron-rich alkali metal compounds of MB_(12)(M = Be, Mg, Ca, Sr) with simulation cell sizes of 1–2 formula units(f.u.)at 0 GPa. The structure, electronic, and mechanical properties of MB_(12) are obtained from the density functional theory using the plane-wave pseudopotential method within the generalized gradient approximations. The formation enthalpies of MB_(12) regarding to solid metal M and solid alpha-boron suggested the predicted structures can be synthesized except for BeB12. The calculated band structures show MB_(12)(M = Be, Mg, Ca, Sr) are all indirect semiconductors. All the calculated elastic constants of MB_(12) satisfy the the mechanical stable conditions. The mechanical parameters(i.e., bulk modulus,shear modulus, and Young’s modulus) are derived using the Voigt–Reuss–Hill method. The G/B ratios indicated that the MB_(12) should exhibit brittle behavior. In addition, the hardness, Debye temperature, universal anisotropic index, and the percentage of anisotropy in compression and shear are also discussed in detail. We hope our results can inspire further experimental study on these boron-rich alkali-metal compounds.

Electronic structures and magnetic properties of Zn-and Cd-doped AlN nanosheets:A first-principles study

In this paper, the magnetic properties, electronic structures and the stabilities of Zn/Cd incorporated two-dimensional Al N nanosheets are investigated by the first-principles method. Numerical results indicate that Zn and Cd substituting Al atom in Al N nanosheets introduce some holes into the 2p orbitals of the N atoms, and the holes mainly come from spindown 2p orbitals of the N atoms. The magnetic moment of 1.0 μBis produced by Zn/Cd doping Al N nanosheets, and the main component of the magnetic moment of the system is contributed by the partially filled 2p states of the N atoms around the dopant. In particular, when Zn/Cd substituting Al atoms, the magnetic coupling is found to be ferromagnetic. We attribute the hole-mediated p–d interaction to the created ferromagnetic coupling. More importantly, the result of formation energy indicates that Al atom is more inclined to be replaced by Zn atom rather than Cd. This finding is beneficial to developing the spin electronic devices.

Consistent and Accurate TDOA Localization in Dynamic NLOS Environments via Prior Information Independent Estimation

In the time-difference-of-arrival(TDOA)localization,robust least squares(LS)problems solved by mathematical programming were proven to be superior in mitigating the effects of non-line-of-sight(NLOS)propagation.However,the existing algorithms still suffer from two disadvantages:1)The algorithms strongly depend on prior information;2)The approaches do not satisfy the mean square error(MSE)optimal criterion of the measurement noise.To tackle the troubles,we first formulate an MSE minimization model for measurement noise by taking the source and the NLOS biases as variables.To obtain stable solutions,we introduce a penalty function to avoid abnormal estimates.We further tackle the nonconvex locating problem with semidefinite relaxation techniques.Finally,we incorporate mixed constraints and variable information to improve the estimation accuracy.Simulations and experiments show that the proposed method achieves consistent performance and good accuracy in dynamic NLOS environments.

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.

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.

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.

The Evolution of Photospheric Current Density During an X9.3-Class Solar Flare

This paper deduced the temporal evolution of the magnetic field through a series of high-resolution vector magnetograms and calculated the fine distribution map of current density during an X9.3-class flare eruptions using Ampère's law.The results show that a pair of conjugate current ribbons exist on both sides of the magnetic neutral line in this active region,and these conjugate current ribbons persist before,during,and after the flare.It was observed that the X9.3-class flare brightened in the form of a bright core and evolved into a double-ribbon flare over time.Importantly,the position of the double-ribbon flare matches the position of the current ribbons with high accuracy,and their morphologies are very similar.By investigating the complexity of current density and flare morphology,we discovered a potential connection between the eruption of major flares and the characteristics of current density.

Internal electric field modulation by copper vacancy concentration of cuprous sulfide nanosheets for enhanced selective CO_(2) photoreduction

Although the internal electric field(IEF)of photocatalysts is acknowledged as a potent driving force for photocharge separation,modulating the IEF intensity to achieve enhanced photocatalytic performances remains a challenge.Herein,cuprous sulfide nanosheets with different Cu vacancy concentration were employed to study IEF modulation and corresponding direct charge transfer.Among the samples,Cu_(1.8)S nanosheets possessed intensified IEF intensity compared with those of Cu_(2)S and Cu_(1.95)S nanosheets,suggesting that an enhanced IEF intensity could be achieved by introducing more Cu vacancies.This intensified IEF of Cu_(1.8)S nanosheets induced numerous photogenerated electrons to migrate to its surface,and the dissociative electrons were then captured by Cu vacancies,resulting in efficient charge separation spatially.In addition,the Cu vacancies on Cu_(1.8)S nanosheets accumulated electrons as active sites to lower the energy barrier of rate-determining step of CO_(2)photoreduction,leading to the selective conversion of CO_(2)to CO.Herein,the manipulation of IEF intensity through Cu vacancy concentration regulation of cuprous sulfide photocatalysts for efficient charge separation has been discussed,providing a scientific strategy to rationally improve photocata lytic performances for solar energy conversion.

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.