Far-infrared(FIR)interferometer is widely used to measure the electron density in the magnetically confined fusion plasma devices.A new FIR laser interferometer with a total of 13 channels(8 horizontal channels and 5 ...Far-infrared(FIR)interferometer is widely used to measure the electron density in the magnetically confined fusion plasma devices.A new FIR laser interferometer with a total of 13 channels(8 horizontal channels and 5 oblique channels)is under development on the HL-3tokamak by using the formic-acid laser(HCOOH,f=694 GHz).In order to investigate the boundary electron density activity during the divertor discharge,three horizontal interferometry channels located at Z=-97,-76,76.5 cm have been successfully developed on HL-3 in 2023,and put into operation in recent experimental campaign,with a time resolution of<1.0μs and lineintegrated electron density resolution of~7.0×10^(16) m^(-2).This paper mainly focuses on the optical design of the three-channel interferometry system,as well as optical elements and recent experimental result on HL-3.展开更多
A non-contact low-frequency(LF)method of diagnosing the plasma surrounding a scaled model in a shock tube is proposed.This method utilizes the phase shift occurring after the transmission of an LF alternating magnetic...A non-contact low-frequency(LF)method of diagnosing the plasma surrounding a scaled model in a shock tube is proposed.This method utilizes the phase shift occurring after the transmission of an LF alternating magnetic field through the plasma to directly measure the ratio of the plasma loop average electron density to collision frequency.An equivalent circuit model is used to analyze the relationship of the phase shift of the magnetic field component of LF electromagnetic waves with the plasma electron density and collision frequency.The applicable range of the LF method on a given plasma scale is analyzed.The upper diagnostic limit for the ratio of the electron density(unit:m^(-3))to collision frequency(unit:Hz)exceeds 1×10^(11),enabling an electron density to exceed 1×10^(20)m^(-3)and a collision frequency to be less than 1 GHz.In this work,the feasibility of using the LF phase shift to implement the plasma diagnosis is also assessed.Diagnosis experiments on shock tube equipment are conducted by using both the electrostatic probe method and LF method.By comparing the diagnostic results of the two methods,the inversion results are relatively consistent with each other,thereby preliminarily verifying the feasibility of the LF method.The ratio of the electron density to the collision frequency has a relatively uniform distribution during the plasma stabilization.The LF diagnostic path is a loop around the model,which is suitable for diagnosing the plasma that surrounds the model.Finally,the causes of diagnostic discrepancy between the two methods are analyzed.The proposed method provides a new avenue for diagnosing high-density enveloping plasma.展开更多
Secondary electron emission(SEE)induced by the positive ion is an essential physical process to influence the dynamics of gas discharge which relies on the specific surface material.Surface charging has a significant ...Secondary electron emission(SEE)induced by the positive ion is an essential physical process to influence the dynamics of gas discharge which relies on the specific surface material.Surface charging has a significant impact on the material properties,thereby affecting the SEE in the plasma-surface interactions.However,it does not attract enough attention in the previous studies.In this paper,SEE dependent on the charged surface of specific materials is described with the computational method combining a density functional theory(DFT)model from the first-principle theory and the theory of Auger neutralization.The effect ofκ-Al2O3 surface charge,as an example,on the ion-induced secondary electron emission coefficient(SEEC)is investigated by analyzing the defect energy level and band structure on the charged surface.Simulation results indicate that,with the surface charge from negative to positive,the SEEC of a part of low ionization energy ions(such as Ei=12.6 eV)increases first and then decreases,exhibiting a nonlinear changing trend.This is quite different from the monotonic decreasing tendency observed in the previous model which simplifies the electronic structure.This irregular increase of the SEEC can be attributed to the lower escaped probability of orbital energy.The results further illustrate that the excessive charge could cause the bottom of the conduction band close to the valence band,thus leading to the decrease of the orbital energy occupied by the excited electrons.The nonlinear change of SEEC demonstrates a more realistic situation of how the electronic structure of material surface influences the SEE process.This work provides an accurate method of calculating SEEC from specific materials,which is urgent in widespread physical scenarios sensitive to surface materials,such as increasingly growing practical applications concerning plasma-surface interactions.展开更多
We present a formalism of charge self-consistent dynamical mean field theory(DMFT)in combination with densityfunctional theory(DFT)within the linear combination of numerical atomic orbitals(LCNAO)framework.We implemen...We present a formalism of charge self-consistent dynamical mean field theory(DMFT)in combination with densityfunctional theory(DFT)within the linear combination of numerical atomic orbitals(LCNAO)framework.We implementedthe charge self-consistent DFT+DMFT formalism by interfacing a full-potential all-electron DFT code with threehybridization expansion-based continuous-time quantum Monte Carlo impurity solvers.The benchmarks on several 3d,4fand 5f strongly correlated electron systems validated our formalism and implementation.Furthermore,within the LCANOframework,our formalism is general and the code architecture is extensible,so it can work as a bridge merging differentLCNAO DFT packages and impurity solvers to do charge self-consistent DFT+DMFT calculations.展开更多
During the course of ionospheric heating experiments, researchers at the European Incoherent Scatter Scientific Association (EISCAT) observed an apparent electron density enhancement. The enhancement extended over a w...During the course of ionospheric heating experiments, researchers at the European Incoherent Scatter Scientific Association (EISCAT) observed an apparent electron density enhancement. The enhancement extended over a wide range of altitudes, above the reflection altitude of the high-frequency pump wave. However, whether this enhancement actually corresponds to a true enhancement in electron density remains an open question. When the dispersion relation of ion acoustic waves is followed, the frequency ratio of the enhanced ion line to the background ion line suggests that the profile of the effective ion mass may have remained unchanged. Furthermore, the solar radio flux and ion drift velocity indicate no significant changes in the ion species and their densities. In conclusion, the electron density enhancement observed at EISCAT should not, in fact, be considered a true enhancement.展开更多
Cyclo[18]carbon has received considerable attention thanks to its novel geometric configuration and special electronic structure.Superalkalis have low ionization energy.Doping a superalkali in cyclo[18]carbon is an ef...Cyclo[18]carbon has received considerable attention thanks to its novel geometric configuration and special electronic structure.Superalkalis have low ionization energy.Doping a superalkali in cyclo[18]carbon is an effective method to improve the optical properties of the system because considerable electron transfer occurs.In this paper,the geometry,bonding properties,electronic structure,absorption spectrum,and nonlinear optical(NLO)properties of superalkaline M_(3)O(M=Li,Na)-doped cyclo[18]carbon were studied by using density functional theory.M_(3)O and the C_(18) rings are not coplanar.The C_(18) ring still exhibits alternating long and short bonds.The charge transfer between M_(3)O and C_(18) forms stable[M_(3)O]+[C_(18)]-ionic complexes.C_(18)M_(3)O(M=Li,Na)shows striking optical nonlinearity,i.e.,their first-and second-order hyperpolarizability(βvec andγ||)increase considerably atλ=1907 nm and 1460 nm.展开更多
Total Electron Content(TEC)and electron density enhancement were observed on the day before 17 March 2015 great storm in the China Region.Observations from ground-and space-based instruments are used to investigate th...Total Electron Content(TEC)and electron density enhancement were observed on the day before 17 March 2015 great storm in the China Region.Observations from ground-and space-based instruments are used to investigate the temporal and spatial evolution of the pre-storm enhancement.TEC enhancement was observed from 24°N to 30°N after 10:00 UT at 105°E,110°E and 115°E longitudes on March 16.The maximum magnitude of TEC enhancement was more than 10 TECU and the maximal relative TEC enhancement exceeded 30%.Compared with geomagnetic quiet days,the electron density of Equatorial Ionization Anomaly(EIA)northern peak from Swarm A/C satellites on March 16 was larger and at higher latitudes.NmF2 enhanced during 11:30—21:00 UT at Shaoyang Station and increased by 200%at~16:00 UT.However,TEC and electron density enhancement were not accompanied by a significant change of hmF2.Most research has excluded some potential mechanisms as the main driving factors for storm-time density enhancements by establishing observational constraints.In this paper,we observed pre-storm enhancement in electron density at different altitudes and Equatorial Electrojet(EEJ)strength results derived from ground magnetometers observations suggest an enhanced eastward electric field from the E region probably played a significant role in this event.展开更多
We study the geometries, stabilities, electronic and magnetic properties of (MgO)n (n=2-10) clusters doped with a single Mn atom using the density functional theory with the gener- alized gradient approximation. T...We study the geometries, stabilities, electronic and magnetic properties of (MgO)n (n=2-10) clusters doped with a single Mn atom using the density functional theory with the gener- alized gradient approximation. The optimized geometries show that the impurity Mn atom prefers to replace the Mg atom which has low coordination number in all the lowest-energy MnMgn-1On (n=2-10) structures. The stability analysis clearly represents that the average binding energies of the doped clusters are larger than those of the corresponding pure (MgO)n clusters. Maximum peaks of the second order energy differences are observed for MnMg~_1On clusters at n=6, 9, implying that these clusters exhibit higher stability than their neighboring clusters. In addition, all the Mn-doped Mg clusters exhibit high total magnetic moments with the exception of MnMgO2 which has 3.00μB. Their magnetic behavior is attributed to the impurity Mn atom, the charge transfer modes, and the size of MnMgn- 1On clusters.展开更多
CaO–SiO_(2)compounds compromise one of the most common series of oxide particles in liquid steels, which could significantly affect the service performance of the steels as crack initiation sites. However, the struct...CaO–SiO_(2)compounds compromise one of the most common series of oxide particles in liquid steels, which could significantly affect the service performance of the steels as crack initiation sites. However, the structural, electronic, and mechanical properties of the compounds in CaO–SiO_(2)system are still not fully clarified due to the difficulties in the experiments. In this study, a thorough investigation of these properties of CaO–SiO_(2)compound particles in steels was conducted based on first-principles density functional theory. Corresponding phases were determined by thermodynamic calculation, including gamma dicalcium silicate(γ-C2S), alpha-prime(L) dicalcium silicate(αL′-C2S), alpha-prime(H) dicalcium silicate(αH′-C2S), alpha dicalcium silicate(α-C2S), rankinite(C3S2), hatrurite(C3S), wollastonite(CS), and pseudowollastonite(Ps-CS). The results showed that the calculated crystal structures of the eight phases agree well with the experimental results. All the eight phases are stable according to the calculated formation energies, and γ-C2S is the most stable. O atom contributes the most to the reactivity of these phases. The Young’s modulus of the eight phases is in the range of 100.63–132.04 GPa. Poisson’s ratio is in the range of0.249–0.281. This study provided further understanding concerning the CaO–SiO_(2)compound particles in steels and fulfilled the corresponding property database, paving the way for inclusion engineering and design in terms of fracture-resistant steels.展开更多
Ultrafast imaging tools are of great importance for determining the dynamic density distribution in high energy density(HED)matter.In this work,we designed a high energy electron radiography(HEER)system based on a lin...Ultrafast imaging tools are of great importance for determining the dynamic density distribution in high energy density(HED)matter.In this work,we designed a high energy electron radiography(HEER)system based on a linear electron accelerator to evaluate its capability for imaging HED matter.40 MeV electron beams were used to image an aluminum target to study the density resolution and spatial resolution of HEER.The results demonstrate a spatial resolution of tens of micrometers.The interaction of the beams with the target and the beam transport of the transmitted electrons are further simulated with EGS5 and PARMELA codes,with the results showing good agreement with the experimental resolution.Furthermore,the experiment can be improved by adding an aperture at the Fourier plane.展开更多
A density functional theory investigation on the geometries, electronic structures, and electron detachment energies of BS, BS2, B(BS)2 and B(BS)3 has been performed in this work. The linear ground-state structure...A density functional theory investigation on the geometries, electronic structures, and electron detachment energies of BS, BS2, B(BS)2 and B(BS)3 has been performed in this work. The linear ground-state structures of BS (C∞v, ^1∑^+) and BS2^- (O∞h, ^1∑g^+) prove to be similar to the previously reported BO and BO2 with systematically lower electron detachment energies. Small boron sulfide clusters are found to favor the formation of -B=S groups which function basically as a-radicals and dominate the ground-state structures of the systems. The perfect linear B(BS)2^-(D∞h, ^3∑g) and beautiful equilateral triangle B(BS)3^- (D3h,^2A1”) turn out to be analogous to the well-known C2v BH2 and O3h BH3, respectively. The electron affinities of BS, BS2, B(BS)2 and B(BS)3 are predicted to be 2.3, 3.69, 3.00 and 3.45 eV, respectively. The electron detachment energies calculated for BS^-, BS2^-, B(BS)2^-, and B(BS)3^- may facilitate future photoelectron spectroscopy measurements to characterize the geometrical and electronic structures of these anions.展开更多
The electron density within the volume of the tungsten divertor of the Experimental Advanced Superconducting Tokamak (EAST) is calculated based on Dε line (396.9 nm) Stark broadening (SB) measurements. The quas...The electron density within the volume of the tungsten divertor of the Experimental Advanced Superconducting Tokamak (EAST) is calculated based on Dε line (396.9 nm) Stark broadening (SB) measurements. The quasistatic approximation is employed in the SB calculation of the Dε line. The influences of other broadening mechanisms on the calculation error of electron density have been evaluated. The SB method is applied to the study of spatial distribution and time evolution of the electron density in the W divertor. Two electron density bands are observed in the detached divertor plasma during an L-mode discharge sustained by low hybrid wave (LHW) heating, which could be related to the striated particle flux distribution induced by LHW. After the onset of detachment, the upper electron density band corresponding to outer strike point firstly increases then decreases, while the lower density band corresponding to striated particle flux increases continually although the electron densities from Langmuir Probes at the divertor plate keep a descending trend. This could indicate a downward movement of the radiation region that approximately moves along the magnetic field lines after the onset of detachment.展开更多
In the context of mosquito control, a plethora of devices have been put on the market. The effectiveness of these devices is not always proven, but some have interesting principles that have the potential to be a good...In the context of mosquito control, a plethora of devices have been put on the market. The effectiveness of these devices is not always proven, but some have interesting principles that have the potential to be a good means of mosquito control. Among these interesting devices are the photonic traps. We have carried out nightly captures of mosquitoes on human baits in the presence and absence of the device. These captures were made during the rainy season in the localities of Zogbadjè and Mènontin. The captures were made under the same atmospheric conditions at the same locations at 5-day intervals. These captures were made twice per house, indoors and outdoors, with one blank capture without the device and one capture with the device. The captured mosquitoes were identified and classified by genus and their aggressiveness determined by calculating the biting rate. A total of 845 mosquitoes were captured during these captures with 296 mosquitoes captured indoors without the device and 132 mosquitoes with the device present. This represents a decrease of 55.40% in culicidae density. Furthermore, a significant decrease was observed in aggressiveness, from 49 to 22 bites per man per night (b/m/n) with the use of the device. This decrease is even more important for nocturnal species such as Anopheles spp. whose aggressiveness decreased by 90%. The present study confirms the effectiveness of the “Electron go out mosquito small lamp” in reducing Culicidae density and mosquito aggression even in the presence of chemotactic interference. However, this study was limited in time and focused only on the ability of the device to reduce mosquito numbers and did not assess its epidemiological efficacy. It is therefore important to extend the work to examine the influence of the use of this device on population health and the occurrence of mosquito-borne diseases, particularly malaria.展开更多
It is challenging to measure the electron density of the unsteady plasma formed by charged particles generated from explosions in the air,because it is transient and on a microsecond time scale.In this study,the time-...It is challenging to measure the electron density of the unsteady plasma formed by charged particles generated from explosions in the air,because it is transient and on a microsecond time scale.In this study,the time-varying electron density of the plasma generated from a small cylindrical cyclotrimethylenetrinitramine(RDX)explosion in air was measured,based on the principle of microwave Rayleigh scattering.It was found that the evolution of the electron density is related to the diffusion of the detonation products.The application of the Rayleigh microwave scattering principle is an attempt to estimate the electron density in explosively generated plasma.Using the equivalent radius and length of the detonation products in the bright areas of images taken by a high-speed framing camera,the electron density was determined to be of the order of 10^(20)m^(−3).The delay time between the initiation time and the start of variation in the electron-density curve was 2.77–6.93μs.In the time-varying Rayleigh microwave scattering signal curve of the explosively generated plasma,the electron density had two fluctuation processes.The durations of the first stage and the second stage were 11.32μs and 19.20μs,respectively.Both fluctuation processes increased rapidly to a peak value and then rapidly attenuated with time.This revealed the movement characteristics of the charged particles during the explosion.展开更多
The electronic band structures, densities of states (DOSs), and projected densities of states (PDOSs) of the wurtzite In1-xGaxN with x=0, 0.0625, 0.125 are studied using the generalized-gradient approximation (GG...The electronic band structures, densities of states (DOSs), and projected densities of states (PDOSs) of the wurtzite In1-xGaxN with x=0, 0.0625, 0.125 are studied using the generalized-gradient approximation (GGA) and GGA+U in density functional theory. Our calculations suggest that in the case of wurtzite InN it is important to apply an on-site Hubbard correction to both the d states of indium and the p states of nitrogen in order to recover the correct energy level symmetry and obtain a reliable description of the InN band structure. The method is used to study the electronic properties of the wurtzite In1-xGaxN. The conduction band minimum (CBM) energy increases, while the valence band maximum (VBM) energy decreases with the increase of the gallium concentration. The effect leads to broadening the band gap (BG) and the valence band width (VBW). Furthermore, the compressive strain in the crystal can cause the BG and the VBW to increase with the increase of gallium concentrations.展开更多
In this manuscript, we used the SCAPS-1D software to perform numerical simulations on a perovskite solar cell. These simulations were used to study the influence of certain parameters on the electrical behavior of the...In this manuscript, we used the SCAPS-1D software to perform numerical simulations on a perovskite solar cell. These simulations were used to study the influence of certain parameters on the electrical behavior of the cell. We have shown in this study that electron mobility is strongly influenced by the thickness of the absorber, since electron velocity is reduced by thickness. The influence of the defect density shows that above 10<sup>16</sup> cm<sup>-3</sup> all the electrical parameters are affected by the defects. The band discontinuity at the interface generally plays a crucial role in the charge transport phenomenon. The importance of this study is to enable the development of good quality perovskite solar cells, while taking into account the parameters that limit solar cell performance.展开更多
By using a two-dimensional particle-in-cell simulation,we demonstrate a scheme for highenergy-density electron beam generation by irradiating an ultra intense laser pulse onto an aluminum(Al) target.With the laser h...By using a two-dimensional particle-in-cell simulation,we demonstrate a scheme for highenergy-density electron beam generation by irradiating an ultra intense laser pulse onto an aluminum(Al) target.With the laser having a peak intensity of 4×10^23W cm^-2,a high quality electron beam with a maximum density of 117 nc and a kinetic energy density up to8.79×10^18J m^-3 is generated.The temperature of the electron beam can be 416 Me V,and the beam divergence is only 7.25°.As the laser peak intensity increases(e.g.,1024 W cm^-2),both the beam energy density(3.56×10^19J m^-3) and the temperature(545 Me V) are increased,and the beam collimation is well controlled.The maximum density of the electron beam can even reach 180 nc.Such beams should have potential applications in the areas of antiparticle generation,laboratory astrophysics,etc.展开更多
The generalised gradient approximation based on density functional theory is used to study the structural and electronic properties of the endohedral fullerene dimer (N2@C60)2. Four N atoms sit at the cage centres i...The generalised gradient approximation based on density functional theory is used to study the structural and electronic properties of the endohedral fullerene dimer (N2@C60)2. Four N atoms sit at the cage centres in the form of two N2 molecules. The density of states and Mulliken charge analysis explore that the energy levels from 6 to 10 eV are mainly influenced by the N2 molecules.展开更多
A Software program has been developed in order to perform a fast and reliable calculation to plasma electron density in laser induced breakdown spectroscopy (LIBS) experiments. This program is based on analyzing the e...A Software program has been developed in order to perform a fast and reliable calculation to plasma electron density in laser induced breakdown spectroscopy (LIBS) experiments. This program is based on analyzing the emitted spectral line shape via utilizing facilities of the MatLab7? package to perform this task. This software can perform the following tasks;read the exported data file (*txt-format) from ICCD camera-software, specify the working wavelength of interest, removes the continuum emission component appeared under the line, calculates the spectral line intensity of the line, calculates the spectral shift of the line from the tabulated values, correct against spectral shift jitter at the peak emission, de-convoluting and extracting the different components contributing to the emitted line full width at half of the maximum (FWHM) and finally calculates the plasma electron density. In this article we shall present the results of the test measurement of the plasma electron density utilizing spectral line shape analysis to the emitted Hα-line, Si I-line at 288.15 nm and O I-line at 777.2 nm at different camera delay times ranging from 1 to 5 μs.展开更多
The Ira (n=1-13) clusters are studied using the relativistic density functional method with generalized gradient approximation. A series of low-lying structures with different spin multiplicities have been considere...The Ira (n=1-13) clusters are studied using the relativistic density functional method with generalized gradient approximation. A series of low-lying structures with different spin multiplicities have been considered. It is found that all the lowest-energy Ira (n=4-13) geometries prefer non-compact structures rather than compact structure growth pattern. And the cube structure is a very stable cell for the lowest-energy Ira (n 〉 8) clusters. The second-order difference of energy, the vertical ionization potentials, the electron affinities and the atomic average magnetic moments for the lowest-energy Ira geometries all show odd even alternative behaviours.展开更多
基金supported by the National Magnetic Confinement Fusion Science Program of China(Nos.2019YFE03020004,2018YFE0304102 and 2019YFE03020002)the Department of Science and Technology of Sichuan Province(No.2020YJ0463)。
文摘Far-infrared(FIR)interferometer is widely used to measure the electron density in the magnetically confined fusion plasma devices.A new FIR laser interferometer with a total of 13 channels(8 horizontal channels and 5 oblique channels)is under development on the HL-3tokamak by using the formic-acid laser(HCOOH,f=694 GHz).In order to investigate the boundary electron density activity during the divertor discharge,three horizontal interferometry channels located at Z=-97,-76,76.5 cm have been successfully developed on HL-3 in 2023,and put into operation in recent experimental campaign,with a time resolution of<1.0μs and lineintegrated electron density resolution of~7.0×10^(16) m^(-2).This paper mainly focuses on the optical design of the three-channel interferometry system,as well as optical elements and recent experimental result on HL-3.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.52107162 and 12202479)the Science and Technology Projects of Shaanxi Province,China(Grant Nos.2022CGBX-12 and 2022KXJ-57)the Science and Technology Projects of Xi’an City,China(Grant Nos.23KGDW0023-2022 and 23GXFW0011)。
文摘A non-contact low-frequency(LF)method of diagnosing the plasma surrounding a scaled model in a shock tube is proposed.This method utilizes the phase shift occurring after the transmission of an LF alternating magnetic field through the plasma to directly measure the ratio of the plasma loop average electron density to collision frequency.An equivalent circuit model is used to analyze the relationship of the phase shift of the magnetic field component of LF electromagnetic waves with the plasma electron density and collision frequency.The applicable range of the LF method on a given plasma scale is analyzed.The upper diagnostic limit for the ratio of the electron density(unit:m^(-3))to collision frequency(unit:Hz)exceeds 1×10^(11),enabling an electron density to exceed 1×10^(20)m^(-3)and a collision frequency to be less than 1 GHz.In this work,the feasibility of using the LF phase shift to implement the plasma diagnosis is also assessed.Diagnosis experiments on shock tube equipment are conducted by using both the electrostatic probe method and LF method.By comparing the diagnostic results of the two methods,the inversion results are relatively consistent with each other,thereby preliminarily verifying the feasibility of the LF method.The ratio of the electron density to the collision frequency has a relatively uniform distribution during the plasma stabilization.The LF diagnostic path is a loop around the model,which is suitable for diagnosing the plasma that surrounds the model.Finally,the causes of diagnostic discrepancy between the two methods are analyzed.The proposed method provides a new avenue for diagnosing high-density enveloping plasma.
基金supported by the National Key Research and Development Plan of China(No.2021YFE0114700)National Natural Science Foundation of China(No.52377145).
文摘Secondary electron emission(SEE)induced by the positive ion is an essential physical process to influence the dynamics of gas discharge which relies on the specific surface material.Surface charging has a significant impact on the material properties,thereby affecting the SEE in the plasma-surface interactions.However,it does not attract enough attention in the previous studies.In this paper,SEE dependent on the charged surface of specific materials is described with the computational method combining a density functional theory(DFT)model from the first-principle theory and the theory of Auger neutralization.The effect ofκ-Al2O3 surface charge,as an example,on the ion-induced secondary electron emission coefficient(SEEC)is investigated by analyzing the defect energy level and band structure on the charged surface.Simulation results indicate that,with the surface charge from negative to positive,the SEEC of a part of low ionization energy ions(such as Ei=12.6 eV)increases first and then decreases,exhibiting a nonlinear changing trend.This is quite different from the monotonic decreasing tendency observed in the previous model which simplifies the electronic structure.This irregular increase of the SEEC can be attributed to the lower escaped probability of orbital energy.The results further illustrate that the excessive charge could cause the bottom of the conduction band close to the valence band,thus leading to the decrease of the orbital energy occupied by the excited electrons.The nonlinear change of SEEC demonstrates a more realistic situation of how the electronic structure of material surface influences the SEE process.This work provides an accurate method of calculating SEEC from specific materials,which is urgent in widespread physical scenarios sensitive to surface materials,such as increasingly growing practical applications concerning plasma-surface interactions.
文摘We present a formalism of charge self-consistent dynamical mean field theory(DMFT)in combination with densityfunctional theory(DFT)within the linear combination of numerical atomic orbitals(LCNAO)framework.We implementedthe charge self-consistent DFT+DMFT formalism by interfacing a full-potential all-electron DFT code with threehybridization expansion-based continuous-time quantum Monte Carlo impurity solvers.The benchmarks on several 3d,4fand 5f strongly correlated electron systems validated our formalism and implementation.Furthermore,within the LCANOframework,our formalism is general and the code architecture is extensible,so it can work as a bridge merging differentLCNAO DFT packages and impurity solvers to do charge self-consistent DFT+DMFT calculations.
基金supported by research organizations in China (CRIRP), Finland (SA), Japan (NIPR and STEL), Norway (NFR), Sweden (VR), and the United Kingdom (NERC)supported by the Taishan Scholars Project of Shandong Province (Grant No. ts20190968)supported by the foundation of National Key Laboratory of Electromagnetic Environment (Grant No. 6142403230303)
文摘During the course of ionospheric heating experiments, researchers at the European Incoherent Scatter Scientific Association (EISCAT) observed an apparent electron density enhancement. The enhancement extended over a wide range of altitudes, above the reflection altitude of the high-frequency pump wave. However, whether this enhancement actually corresponds to a true enhancement in electron density remains an open question. When the dispersion relation of ion acoustic waves is followed, the frequency ratio of the enhanced ion line to the background ion line suggests that the profile of the effective ion mass may have remained unchanged. Furthermore, the solar radio flux and ion drift velocity indicate no significant changes in the ion species and their densities. In conclusion, the electron density enhancement observed at EISCAT should not, in fact, be considered a true enhancement.
基金Project supported by the Natural Science Foundation of Anhui Province(Grant No.1908085MA12)the National Natural Science Foundation of China(Grant No.21703222)。
文摘Cyclo[18]carbon has received considerable attention thanks to its novel geometric configuration and special electronic structure.Superalkalis have low ionization energy.Doping a superalkali in cyclo[18]carbon is an effective method to improve the optical properties of the system because considerable electron transfer occurs.In this paper,the geometry,bonding properties,electronic structure,absorption spectrum,and nonlinear optical(NLO)properties of superalkaline M_(3)O(M=Li,Na)-doped cyclo[18]carbon were studied by using density functional theory.M_(3)O and the C_(18) rings are not coplanar.The C_(18) ring still exhibits alternating long and short bonds.The charge transfer between M_(3)O and C_(18) forms stable[M_(3)O]+[C_(18)]-ionic complexes.C_(18)M_(3)O(M=Li,Na)shows striking optical nonlinearity,i.e.,their first-and second-order hyperpolarizability(βvec andγ||)increase considerably atλ=1907 nm and 1460 nm.
基金Fundamental Research Funds for the Central Universities(No.B230201012)National Natural Science Foundation of China(No.42104009)China Postdoctoral Science Foundation(No.2022M720988)。
文摘Total Electron Content(TEC)and electron density enhancement were observed on the day before 17 March 2015 great storm in the China Region.Observations from ground-and space-based instruments are used to investigate the temporal and spatial evolution of the pre-storm enhancement.TEC enhancement was observed from 24°N to 30°N after 10:00 UT at 105°E,110°E and 115°E longitudes on March 16.The maximum magnitude of TEC enhancement was more than 10 TECU and the maximal relative TEC enhancement exceeded 30%.Compared with geomagnetic quiet days,the electron density of Equatorial Ionization Anomaly(EIA)northern peak from Swarm A/C satellites on March 16 was larger and at higher latitudes.NmF2 enhanced during 11:30—21:00 UT at Shaoyang Station and increased by 200%at~16:00 UT.However,TEC and electron density enhancement were not accompanied by a significant change of hmF2.Most research has excluded some potential mechanisms as the main driving factors for storm-time density enhancements by establishing observational constraints.In this paper,we observed pre-storm enhancement in electron density at different altitudes and Equatorial Electrojet(EEJ)strength results derived from ground magnetometers observations suggest an enhanced eastward electric field from the E region probably played a significant role in this event.
文摘We study the geometries, stabilities, electronic and magnetic properties of (MgO)n (n=2-10) clusters doped with a single Mn atom using the density functional theory with the gener- alized gradient approximation. The optimized geometries show that the impurity Mn atom prefers to replace the Mg atom which has low coordination number in all the lowest-energy MnMgn-1On (n=2-10) structures. The stability analysis clearly represents that the average binding energies of the doped clusters are larger than those of the corresponding pure (MgO)n clusters. Maximum peaks of the second order energy differences are observed for MnMg~_1On clusters at n=6, 9, implying that these clusters exhibit higher stability than their neighboring clusters. In addition, all the Mn-doped Mg clusters exhibit high total magnetic moments with the exception of MnMgO2 which has 3.00μB. Their magnetic behavior is attributed to the impurity Mn atom, the charge transfer modes, and the size of MnMgn- 1On clusters.
基金supported by the National Natural Science Foundation of China (No. 52174297)Fundamental Research Funds for the Central Universities (No. FRF-TP-20026A1)+1 种基金the special grade of China Postdoctoral Science Foundation (No. 2021T140050)supported by USTB MatCom of Beijing Advanced Innovation Center for Materials Genome Engineering。
文摘CaO–SiO_(2)compounds compromise one of the most common series of oxide particles in liquid steels, which could significantly affect the service performance of the steels as crack initiation sites. However, the structural, electronic, and mechanical properties of the compounds in CaO–SiO_(2)system are still not fully clarified due to the difficulties in the experiments. In this study, a thorough investigation of these properties of CaO–SiO_(2)compound particles in steels was conducted based on first-principles density functional theory. Corresponding phases were determined by thermodynamic calculation, including gamma dicalcium silicate(γ-C2S), alpha-prime(L) dicalcium silicate(αL′-C2S), alpha-prime(H) dicalcium silicate(αH′-C2S), alpha dicalcium silicate(α-C2S), rankinite(C3S2), hatrurite(C3S), wollastonite(CS), and pseudowollastonite(Ps-CS). The results showed that the calculated crystal structures of the eight phases agree well with the experimental results. All the eight phases are stable according to the calculated formation energies, and γ-C2S is the most stable. O atom contributes the most to the reactivity of these phases. The Young’s modulus of the eight phases is in the range of 100.63–132.04 GPa. Poisson’s ratio is in the range of0.249–0.281. This study provided further understanding concerning the CaO–SiO_(2)compound particles in steels and fulfilled the corresponding property database, paving the way for inclusion engineering and design in terms of fracture-resistant steels.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11435015 and 11505251)the Ministry of Science and Technology of China(Grant No.2016YFE0104900)the Chinese Academy of Sciences(Grant Nos.28Y740010 and 113462KYSB20160036)
文摘Ultrafast imaging tools are of great importance for determining the dynamic density distribution in high energy density(HED)matter.In this work,we designed a high energy electron radiography(HEER)system based on a linear electron accelerator to evaluate its capability for imaging HED matter.40 MeV electron beams were used to image an aluminum target to study the density resolution and spatial resolution of HEER.The results demonstrate a spatial resolution of tens of micrometers.The interaction of the beams with the target and the beam transport of the transmitted electrons are further simulated with EGS5 and PARMELA codes,with the results showing good agreement with the experimental resolution.Furthermore,the experiment can be improved by adding an aperture at the Fourier plane.
基金Supported by the National Natural Science Foundation of China (No. 20573088)
文摘A density functional theory investigation on the geometries, electronic structures, and electron detachment energies of BS, BS2, B(BS)2 and B(BS)3 has been performed in this work. The linear ground-state structures of BS (C∞v, ^1∑^+) and BS2^- (O∞h, ^1∑g^+) prove to be similar to the previously reported BO and BO2 with systematically lower electron detachment energies. Small boron sulfide clusters are found to favor the formation of -B=S groups which function basically as a-radicals and dominate the ground-state structures of the systems. The perfect linear B(BS)2^-(D∞h, ^3∑g) and beautiful equilateral triangle B(BS)3^- (D3h,^2A1”) turn out to be analogous to the well-known C2v BH2 and O3h BH3, respectively. The electron affinities of BS, BS2, B(BS)2 and B(BS)3 are predicted to be 2.3, 3.69, 3.00 and 3.45 eV, respectively. The electron detachment energies calculated for BS^-, BS2^-, B(BS)2^-, and B(BS)3^- may facilitate future photoelectron spectroscopy measurements to characterize the geometrical and electronic structures of these anions.
基金supported by National Key Research and Development Program of China (No. 2017YFA0402500)National Natural Science Foundation of China (Nos. 11575243, 11605238, and 11575242)
文摘The electron density within the volume of the tungsten divertor of the Experimental Advanced Superconducting Tokamak (EAST) is calculated based on Dε line (396.9 nm) Stark broadening (SB) measurements. The quasistatic approximation is employed in the SB calculation of the Dε line. The influences of other broadening mechanisms on the calculation error of electron density have been evaluated. The SB method is applied to the study of spatial distribution and time evolution of the electron density in the W divertor. Two electron density bands are observed in the detached divertor plasma during an L-mode discharge sustained by low hybrid wave (LHW) heating, which could be related to the striated particle flux distribution induced by LHW. After the onset of detachment, the upper electron density band corresponding to outer strike point firstly increases then decreases, while the lower density band corresponding to striated particle flux increases continually although the electron densities from Langmuir Probes at the divertor plate keep a descending trend. This could indicate a downward movement of the radiation region that approximately moves along the magnetic field lines after the onset of detachment.
文摘In the context of mosquito control, a plethora of devices have been put on the market. The effectiveness of these devices is not always proven, but some have interesting principles that have the potential to be a good means of mosquito control. Among these interesting devices are the photonic traps. We have carried out nightly captures of mosquitoes on human baits in the presence and absence of the device. These captures were made during the rainy season in the localities of Zogbadjè and Mènontin. The captures were made under the same atmospheric conditions at the same locations at 5-day intervals. These captures were made twice per house, indoors and outdoors, with one blank capture without the device and one capture with the device. The captured mosquitoes were identified and classified by genus and their aggressiveness determined by calculating the biting rate. A total of 845 mosquitoes were captured during these captures with 296 mosquitoes captured indoors without the device and 132 mosquitoes with the device present. This represents a decrease of 55.40% in culicidae density. Furthermore, a significant decrease was observed in aggressiveness, from 49 to 22 bites per man per night (b/m/n) with the use of the device. This decrease is even more important for nocturnal species such as Anopheles spp. whose aggressiveness decreased by 90%. The present study confirms the effectiveness of the “Electron go out mosquito small lamp” in reducing Culicidae density and mosquito aggression even in the presence of chemotactic interference. However, this study was limited in time and focused only on the ability of the device to reduce mosquito numbers and did not assess its epidemiological efficacy. It is therefore important to extend the work to examine the influence of the use of this device on population health and the occurrence of mosquito-borne diseases, particularly malaria.
基金supported by National Natural Science Foundation of China(Nos.11502118,11504173).
文摘It is challenging to measure the electron density of the unsteady plasma formed by charged particles generated from explosions in the air,because it is transient and on a microsecond time scale.In this study,the time-varying electron density of the plasma generated from a small cylindrical cyclotrimethylenetrinitramine(RDX)explosion in air was measured,based on the principle of microwave Rayleigh scattering.It was found that the evolution of the electron density is related to the diffusion of the detonation products.The application of the Rayleigh microwave scattering principle is an attempt to estimate the electron density in explosively generated plasma.Using the equivalent radius and length of the detonation products in the bright areas of images taken by a high-speed framing camera,the electron density was determined to be of the order of 10^(20)m^(−3).The delay time between the initiation time and the start of variation in the electron-density curve was 2.77–6.93μs.In the time-varying Rayleigh microwave scattering signal curve of the explosively generated plasma,the electron density had two fluctuation processes.The durations of the first stage and the second stage were 11.32μs and 19.20μs,respectively.Both fluctuation processes increased rapidly to a peak value and then rapidly attenuated with time.This revealed the movement characteristics of the charged particles during the explosion.
基金Project supported by the National Natural Science Foundation of China(Grant No.50971094)the Natural Science Foundation of Beijing,China(Grant Nos.KZ201310028032 and 1092007)the Domestic Visiting Program for the Graduate Students of Inner Mongolia University,China
文摘The electronic band structures, densities of states (DOSs), and projected densities of states (PDOSs) of the wurtzite In1-xGaxN with x=0, 0.0625, 0.125 are studied using the generalized-gradient approximation (GGA) and GGA+U in density functional theory. Our calculations suggest that in the case of wurtzite InN it is important to apply an on-site Hubbard correction to both the d states of indium and the p states of nitrogen in order to recover the correct energy level symmetry and obtain a reliable description of the InN band structure. The method is used to study the electronic properties of the wurtzite In1-xGaxN. The conduction band minimum (CBM) energy increases, while the valence band maximum (VBM) energy decreases with the increase of the gallium concentration. The effect leads to broadening the band gap (BG) and the valence band width (VBW). Furthermore, the compressive strain in the crystal can cause the BG and the VBW to increase with the increase of gallium concentrations.
文摘In this manuscript, we used the SCAPS-1D software to perform numerical simulations on a perovskite solar cell. These simulations were used to study the influence of certain parameters on the electrical behavior of the cell. We have shown in this study that electron mobility is strongly influenced by the thickness of the absorber, since electron velocity is reduced by thickness. The influence of the defect density shows that above 10<sup>16</sup> cm<sup>-3</sup> all the electrical parameters are affected by the defects. The band discontinuity at the interface generally plays a crucial role in the charge transport phenomenon. The importance of this study is to enable the development of good quality perovskite solar cells, while taking into account the parameters that limit solar cell performance.
基金financially supported by the National Natural Science Foundation of China(Nos.11475260,11305264,11622547,91230205,and 11474360)the National Basic Research Program of China(No.2013CBA01504)the Research Project of NUDT(No.JC14-02-02)
文摘By using a two-dimensional particle-in-cell simulation,we demonstrate a scheme for highenergy-density electron beam generation by irradiating an ultra intense laser pulse onto an aluminum(Al) target.With the laser having a peak intensity of 4×10^23W cm^-2,a high quality electron beam with a maximum density of 117 nc and a kinetic energy density up to8.79×10^18J m^-3 is generated.The temperature of the electron beam can be 416 Me V,and the beam divergence is only 7.25°.As the laser peak intensity increases(e.g.,1024 W cm^-2),both the beam energy density(3.56×10^19J m^-3) and the temperature(545 Me V) are increased,and the beam collimation is well controlled.The maximum density of the electron beam can even reach 180 nc.Such beams should have potential applications in the areas of antiparticle generation,laboratory astrophysics,etc.
基金Project supported by the Special Foundation of National Natural Science (Grant No. 10947132)the Fundamental Research Funds for the Central Universities,the Research Starting Foundation of Hohai University (Grant No. 2084/40801130)+1 种基金the Natural Science Foundation of Hohai University (Grant Nos. 2008431211 and 2008430311)the Excellent Innovation Personal Support Plan of Hohai University
文摘The generalised gradient approximation based on density functional theory is used to study the structural and electronic properties of the endohedral fullerene dimer (N2@C60)2. Four N atoms sit at the cage centres in the form of two N2 molecules. The density of states and Mulliken charge analysis explore that the energy levels from 6 to 10 eV are mainly influenced by the N2 molecules.
文摘A Software program has been developed in order to perform a fast and reliable calculation to plasma electron density in laser induced breakdown spectroscopy (LIBS) experiments. This program is based on analyzing the emitted spectral line shape via utilizing facilities of the MatLab7? package to perform this task. This software can perform the following tasks;read the exported data file (*txt-format) from ICCD camera-software, specify the working wavelength of interest, removes the continuum emission component appeared under the line, calculates the spectral line intensity of the line, calculates the spectral shift of the line from the tabulated values, correct against spectral shift jitter at the peak emission, de-convoluting and extracting the different components contributing to the emitted line full width at half of the maximum (FWHM) and finally calculates the plasma electron density. In this article we shall present the results of the test measurement of the plasma electron density utilizing spectral line shape analysis to the emitted Hα-line, Si I-line at 288.15 nm and O I-line at 777.2 nm at different camera delay times ranging from 1 to 5 μs.
基金Project supported by the National Natural Science Foundation of China for Young Scientists(Grant No.10904123)the National Natural Science Foundation of China(Grant Nos.10774118 and 10974152)the Special Item Foundation of Educational Committee of Shaanxi Province,China(Grant No.08JK471)
文摘The Ira (n=1-13) clusters are studied using the relativistic density functional method with generalized gradient approximation. A series of low-lying structures with different spin multiplicities have been considered. It is found that all the lowest-energy Ira (n=4-13) geometries prefer non-compact structures rather than compact structure growth pattern. And the cube structure is a very stable cell for the lowest-energy Ira (n 〉 8) clusters. The second-order difference of energy, the vertical ionization potentials, the electron affinities and the atomic average magnetic moments for the lowest-energy Ira geometries all show odd even alternative behaviours.