The surface of a high-speed vehicle reentering the atmosphere is surrounded by plasma sheath.Due to the influence of the inhomogeneous flow field around the vehicle,understanding the electromagnetic properties of the ...The surface of a high-speed vehicle reentering the atmosphere is surrounded by plasma sheath.Due to the influence of the inhomogeneous flow field around the vehicle,understanding the electromagnetic properties of the plasma sheath can be challenging.Obtaining the electron density of the plasma sheath is crucial for understanding and achieving plasma stealth of vehicles.In this work,the relationship between electromagnetic wave attenuation and electron density is deduced theoretically.The attenuation distribution along the propagation path is found to be proportional to the integral of the plasma electron density.This result is used to predict the electron density profile.Furthermore,the average electron density is obtained using a back-propagation neural network algorithm.Finally,the spatial distribution of the electron density can be determined from the average electron density and the normalized derivative of attenuation with respect to the propagation depth.Compared to traditional probe measurement methods,the proposed approach not only improves efficiency but also preserves the integrity of the plasma environment.展开更多
Nickle-based catalysts are commonly used for CO_(2)methanation.However,there is still potential to improve their catalytic performanc under mild conditions.In this study,we synthesized a series of Ru-Ni-Al catalysts f...Nickle-based catalysts are commonly used for CO_(2)methanation.However,there is still potential to improve their catalytic performanc under mild conditions.In this study,we synthesized a series of Ru-Ni-Al catalysts from Ru-doped NiAl-hydrotalcite using a hydrotherma method.The Ru-Ni-Al catalyst demonstrated much higher activity for CO_(2)methanation than the Ni-Al catalyst that did not have Ru doping Both experimental results and theoretical calculations indicate that the enhanced performance of the Ru-Ni-Al catalyst is related to electroni interactions between nickel(Ni)and ruthenium(Ru).The Ru sites transfer electrons to the Ni sites,increasing the local electron density of Ni which enhances the adsorption and activation of H_(2).Furthermore,the Ru-Ni metal interface sites improve the adsorption and activation of CO_(2)In situ Diffuse Reflectance Infrared Fourier Transform Spectroscopy(DRIFTS)analysis indicates that adjusting the electronic structure of N sites can accelerate the production of intermediates HCOO^(*),while Ru-Ni intermetallic interface sites can directly dissociate CO_(2)into CO^(*).In addition,CO_(2)methanation on the Ru-Ni-Al catalyst follows HCOO^(*)-and CO^(*)-mediated pathways.This study underscores the potential fo enhancing CO_(2)methanation performance by modulating the electronic structure of Ni sites.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
By performing the electronic structure computation of a Si atom, we compare two iteration algorithms of Broyden electron density mixing in the literature. One was proposed by Johnson and implemented in the well-known ...By performing the electronic structure computation of a Si atom, we compare two iteration algorithms of Broyden electron density mixing in the literature. One was proposed by Johnson and implemented in the well-known VASP code.The other was given by Eyert. We solve the Kohn-Sham equation by using a conventional outward/inward integration of the differential equation and then connect two parts of solutions at the classical turning points, which is different from the method of the matrix eigenvalue solution as used in the VASP code. Compared to Johnson＇s algorithm, the one proposed by Eyert needs fewer total iteration numbers.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
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
Arsenic can diffuse into high-κ dielectrics during OaAs-based metal oxide semiconductor transistor process, which causes the degradation of gate dielectrics. To explore the origins of the degradation, we employ nonlo...Arsenic can diffuse into high-κ dielectrics during OaAs-based metal oxide semiconductor transistor process, which causes the degradation of gate dielectrics. To explore the origins of the degradation, we employ nonlocal B3LYP hybrid functional to study arsenic related defects in ZrO2. Via band alignments between the OaAs and ZrO2, we are able to determine the defect formation energy in the GaAs relative to the ZrO2 band gap and assess how they will affect the device performance. Arsenic at the interstitial site serves as a source of positive fixed charge while at the oxygen or zirconium substitutional site changes its charge state within the band gap of GaAs. Moreover, it is found that arsenic related defects produce conduction band offset reduction and gap states, which will increase the gate leakage current.展开更多
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
We performed density functional theory calculations of O2, CO2, and H2O chemisorption on the UN（001） surface using the generalized gradient approximation and PW91 exchangecorrelation functional at non-spin polarized...We performed density functional theory calculations of O2, CO2, and H2O chemisorption on the UN（001） surface using the generalized gradient approximation and PW91 exchangecorrelation functional at non-spin polarized level with the periodic slab model. Chemisorption energies vs. molecular distance from UN（001） surface were optimized for four symmetrical chemisorption sites. The results showed that the bridge parallel, hollow parallel and bridge hydrogen-up adsorption sites were the most stable site for O2, CO2, and H2O molecular with chemisorption energies of 14.48, 4.492, and 5.85 kJ/mol, respectively. From the point of adsorbent （the UN（001） surface）, interaction of O2 with the UN（001） surface was of the maximum magnitude, then CO2 and H2O, indicating that these interactions were associated with structures of the adsorbate. O2 chemisorption caused N atoms on the surface to migrate into the bulk, however CO2 and H2O had a moderate and negligible effect on the surface, respectively. Calculated electronic density of states demonstrated the electronic charge transfer between s, p orbital in chemisorption molecular and U6d, U5f orbital.展开更多
The analytical expression of the electronic density of states (DOS) for single-walled carbon nanotubes (SWNTs) has been derived on the basis of graphene approximation of the energy E(k) near the Fermi level EF. The di...The analytical expression of the electronic density of states (DOS) for single-walled carbon nanotubes (SWNTs) has been derived on the basis of graphene approximation of the energy E(k) near the Fermi level EF. The distinctive properties of the DOS, the normalized differential conductivity and the current us bias for SWNTs are deduced and analyzed theoretically. The singularities in the DOS (or in the normalized differential conductivity) predict that the jump structure of current (or conductance)-bias of SWNTs exists. All conclusions from the theoretical analysis are in well agreement with the experimental results of SWNT's electronic structure and electronic transport. In other words, the simple theoretical model in this paper can be applied to understand a range of spectroscopic and other measurement data related to the DOS of SWNTs.展开更多
Inverse halogen bonds interactions involving Br in the electronic deficiency systems of CH3＋...Br-Y （Y=H, CCH, CN, NC） have been investigated by B3LYP/6- 311＋＋G（d, p） and MP2/6-311＋＋G（d, p） methods. The cal...Inverse halogen bonds interactions involving Br in the electronic deficiency systems of CH3＋...Br-Y （Y=H, CCH, CN, NC） have been investigated by B3LYP/6- 311＋＋G（d, p） and MP2/6-311＋＋G（d, p） methods. The calculated interaction energies with basis set super-position error correction of the four IXBs complexes are 218.87, 219.48, 159.18, and 143.05kJ/mol （MP2/6-311＋＋G（d, p））, respectively. The relative stabilities of the four complexes increased in the order： CH3＋ … BrCN〈CH3＋…- BrNC〈CH3＋… BrH≈CH3＋ …BrCCH. Natural bond orbital theory analysis and the chemical shifts calculation of the related atoms revealed that the charges flow from Br-Y to CH3e. Here, the Br of Br-Y acts as both a halogen bond donor and an electron donor. Therefore, compared with conventional halogen bonds, the IXBs complexes formed between Br-Y and CH3＋. Atoms-in-molecules theory has been used to investigate the topological properties of the critical points of the four IXBs structures which have more covalent content.展开更多
We investigate the structural, electronic and adsorption properties of one single CO molecule adsorbed on RhN （N = 2-19） clusters, using the density-functional theory in the spin-polarized generalized gradient appro...We investigate the structural, electronic and adsorption properties of one single CO molecule adsorbed on RhN （N = 2-19） clusters, using the density-functional theory in the spin-polarized generalized gradient approximation. It is found that the structural growth model of the RhN clusters transforms from double layers （N = 12-16） to three layers （N ： 17-19）. Three different adsorption types are the atop site adsorption for N = 6, 8, 9, 11, 12, the bridge site adsorption for N ： 2-5, 7, 10, 13-15, 17 and the face adsorption for N = 16, 18, 19. The adsorption abilities of RhN clusters are related to C-O bond length, vibrational frequency, adsorption energy and the charge transfer between CO and Rh clusters as well as the electronic density of state. With the increase of Rh cluster size, the adsorption energy of CO adsorbed on RhN clusters tends to be 2.2 eV-2.3 eV, which is 0.2 eV-0.3 eV larger than the theoretical value （about 2.0 eV） of CO molecule adsorption on clean Rh （111） surface.展开更多
To address the sensitive and uncertain limitations of single-energy computed tomography(CT)calibration methods in computing proton stopping power ratio during treatment planning,different methods have been proposed us...To address the sensitive and uncertain limitations of single-energy computed tomography(CT)calibration methods in computing proton stopping power ratio during treatment planning,different methods have been proposed using a dual energy CT approach.This paper reviews the most recent dual-energy CT approaches for computing proton stopping power ratio.These include image domain and projection domain methods.The advantages and uncertainties of these methods are analyzed based on existing studies.This paper highlights recent advances in dual energy CT,discussing their implementation,advantages,limitations,and potential for clinical adoption.展开更多
Aiming at the gas discharge problem in electric aircraft,this work studies the gas discharge characteristics at low-temperature sub-atmospheric pressure.A gas discharge shooting platform was built,and the discharge pr...Aiming at the gas discharge problem in electric aircraft,this work studies the gas discharge characteristics at low-temperature sub-atmospheric pressure.A gas discharge shooting platform was built,and the discharge process was photographed by intensified charge-coupled device(ICCD).A two-dimensional axisymmetric model of needle-plate electrode gas discharge was established,and three sets of Helmholtz equations were used to solve the photoionization.The results show that under the same voltage,the electric field intensity in the discharge process increases first,then decreases and finally increases again.The discharge speed increases with the increase of altitude,and the electron density in the streamer decreases with the increase of altitude.The development speed of the streamer in the middle stage is higher than that in the early stage,and the speed increases more obviously with the increase of altitude.The development speed of the streamer in the later stage is lower than that in the middle stage,but with the increase of altitude,the development speed of the streamer in the later stage is higher than that in the middle stage.展开更多
Plasma-assisted combustion technology has been a hot spot in aero-engines andscramjet-engines.The electron density is a key discharge parameter related to the active-particledensity.The latter has been considered play...Plasma-assisted combustion technology has been a hot spot in aero-engines andscramjet-engines.The electron density is a key discharge parameter related to the active-particledensity.The latter has been considered playing an important role in the above applications bythe kinetic effect.In this work,an atmospheric pressure air plasma collisional-radiative model con-sidering the excited states of atomic nitrogen and oxygen is built based on previous widely kineticinvestigations of molecules and radicals,as well as their excited states.The excited states,especiallythe atomic nitrogen and oxygen states were less investigated in previous works.The emission inten-sity distributions from the model have a good agreement with those measured in the glide arcplasma with two discharge modes,as well as the microwave plasma.Based on the kinetics of molec-ular and atomic emitting states,the line-ratio method is presented to determine the electron density.The N_(2)(337 nm)/O(844 nm)and N_(2)(337 nm)/NO(γ)line ratios are used for the glide arc plasma andmicrowave plasma torch,respectively.Besides,the kinetics of the excited states involved with twoline-ratios are also investigated in the two types of discharges.Combined with the atmospheric pres-sure actinometry method,the kinetic effect of the plasma-assisted combustion can be revealed quan-titatively in the future.展开更多
The variations of pauli spin paramagnetic susceptibility and the electronic specific heat of solids, are caiculated as functions of temperature following the free electron approximation, in generalised d-dimensions. T...The variations of pauli spin paramagnetic susceptibility and the electronic specific heat of solids, are caiculated as functions of temperature following the free electron approximation, in generalised d-dimensions. The results are compared and become consistent with that obtained in susceptibility becomes independent of temperature only in three dimensions. Interestingly, the Pauli spin paramagnetic two dimensions.展开更多
Despite the tremendous efforts devoted to enhancing the activity of oxygen evolution reaction(OER)catalysts,there is still a huge challenge to deeply understand the electronic structure characteristics of transition m...Despite the tremendous efforts devoted to enhancing the activity of oxygen evolution reaction(OER)catalysts,there is still a huge challenge to deeply understand the electronic structure characteristics of transition metal oxide to guide the design of more active catalysts.Herein,Fe_(3)O_(4)with oxygen vacancies(Fe_(3)O_(4)-Vac)was synthesized via Ar ion irradiation method and its OER activity was greatly improved by properly modulating the electron density around Fe atoms.The electron density of Fe_(3)O_(4)-Vac around Fe atoms increased compared to that of Fe_(3)O_(4)according to the characterization of synchrotron-based X-ray absorption near-edge structure(XANES),extended X-ray absorption fine structure(EXAFS)spectra,and density functional theory(DFT)calculation.Moreover,the DFT results indicate the enhancement of the desorption of HOO^(*)groups which significantly reduced the OER reaction barrier.Fe_(3)O_(4)-Vac catalyst shows an overpotential of 353 m V,lower than that of Fe OOH(853 m V)and Fe_(3)O_(4)(415 m V)at 10 m A cm^(-2),and a low Tafel slope of 50 m V dec^(-1)in 1 M KOH,which was even better than commercial RuO_(2)at high potential.This modulation approach provides us with valuable insights for exploring efficient and robust water-splitting electrocatalysts.展开更多
This work investigates internal plasma process parameters using a hairpin resonance probe and optical emission spectroscopy. The dependence of electron density and atomic fluorine on the percentage of oxygen in an SF6...This work investigates internal plasma process parameters using a hairpin resonance probe and optical emission spectroscopy. The dependence of electron density and atomic fluorine on the percentage of oxygen in an SF6/O2 discharge was measured using these methods. An RIE Oxford Instruments 80 plus chamber was used for the experiments. Two different process powers （100 W and 300 W） at a constant pressure （100 mTorr） were used, and it was found that the optical emission intensity of the 703.7 nm and 685.6 nm lines of atomic fluorine increased rapidly as oxygen was added to the SF6 discharge, reached their maximum at an O2 fraction of 20% and then decreased with further addition of oxygen. The plasma electron density was also strongly influenced by the addition of O2.展开更多
In the real-time plasma electron density measurement using far infrared （FIR） laser interferometry, the plasma electron density can be calculated by measuring the real time phase difference between the reference sig...In the real-time plasma electron density measurement using far infrared （FIR） laser interferometry, the plasma electron density can be calculated by measuring the real time phase difference between the reference signal and the probe signal. A novel Real-time Phase Jump Process （RPJP） method is applied to the HL-2A tokamak. With this method, the phase difference 1 precision is up to 1/3600 fringe （1 fringe is equal to a phase shift of 2π）, and the dynamic measure- ment range is extensible 65536 fringes. The time resolution of the phase difference is 80 ns, while the feedback delay is 180 its.展开更多
Emission spectra of a semiconductor bridge （SCB） plasma in a visible range was studied in air. The electron density was measured in a conventional way from the broadening of the Al Ⅰ 394.4 nm Stark width. Based on ...Emission spectra of a semiconductor bridge （SCB） plasma in a visible range was studied in air. The electron density was measured in a conventional way from the broadening of the Al Ⅰ 394.4 nm Stark width. Based on the Saha equation, a system for recording the intensity of Si Ⅰ 390.5 nm and Si Ⅱ 413.1 nm was designed. With this technique, the SCB plasma electron density was measured well and accurately. Moreover, the electron density distribution Vs time was acquired from one SCB discharge. The individual result from the broadening of the Al Ⅰ 394.4 nm Stark width and Saha equation was all in the range of 1015 cm^-3 to 1016 cm^-3. Finally the presumption of the local thermodynamic equilibrium （LTE） condition was validated.展开更多
基金Project supported by the Natural Science Foundation of Henan Province,China(Grant No.242300420634)the Cultivative Plan of Henan University of Technology(Grant No.2024PYJH035)+3 种基金the Research Foundation for Advanced Talents of Henan University of Technology(Grant Nos.2022BS067 and 2022BS068)the National Natural Science Foundation of China(Grant No.62301211)the Key Research and Development and Promotion Special Project(Science and Technology Research)in Henan Province,China(Grant No.232102211068)the Innovative Funds Plan of Henan University of Technology(Grant No.2022ZKCJ15)。
文摘The surface of a high-speed vehicle reentering the atmosphere is surrounded by plasma sheath.Due to the influence of the inhomogeneous flow field around the vehicle,understanding the electromagnetic properties of the plasma sheath can be challenging.Obtaining the electron density of the plasma sheath is crucial for understanding and achieving plasma stealth of vehicles.In this work,the relationship between electromagnetic wave attenuation and electron density is deduced theoretically.The attenuation distribution along the propagation path is found to be proportional to the integral of the plasma electron density.This result is used to predict the electron density profile.Furthermore,the average electron density is obtained using a back-propagation neural network algorithm.Finally,the spatial distribution of the electron density can be determined from the average electron density and the normalized derivative of attenuation with respect to the propagation depth.Compared to traditional probe measurement methods,the proposed approach not only improves efficiency but also preserves the integrity of the plasma environment.
基金support from the National Natural Science Foundation of China(22278006)Open Project Fund from Guangdong Provincial Key Laboratory of Materials and Technology for Energy Conversion,Guangdong Technion-Israel Institute of Technology(MATEC2024KF009)Open Research Fund of State Key Laboratory of Mesoscience and Engineering(MESO-23-D13)。
文摘Nickle-based catalysts are commonly used for CO_(2)methanation.However,there is still potential to improve their catalytic performanc under mild conditions.In this study,we synthesized a series of Ru-Ni-Al catalysts from Ru-doped NiAl-hydrotalcite using a hydrotherma method.The Ru-Ni-Al catalyst demonstrated much higher activity for CO_(2)methanation than the Ni-Al catalyst that did not have Ru doping Both experimental results and theoretical calculations indicate that the enhanced performance of the Ru-Ni-Al catalyst is related to electroni interactions between nickel(Ni)and ruthenium(Ru).The Ru sites transfer electrons to the Ni sites,increasing the local electron density of Ni which enhances the adsorption and activation of H_(2).Furthermore,the Ru-Ni metal interface sites improve the adsorption and activation of CO_(2)In situ Diffuse Reflectance Infrared Fourier Transform Spectroscopy(DRIFTS)analysis indicates that adjusting the electronic structure of N sites can accelerate the production of intermediates HCOO^(*),while Ru-Ni intermetallic interface sites can directly dissociate CO_(2)into CO^(*).In addition,CO_(2)methanation on the Ru-Ni-Al catalyst follows HCOO^(*)-and CO^(*)-mediated pathways.This study underscores the potential fo enhancing CO_(2)methanation performance by modulating the electronic structure of Ni sites.
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.
基金Project supported by the National Natural Science Foundation of China(Grant No.61176080)
文摘By performing the electronic structure computation of a Si atom, we compare two iteration algorithms of Broyden electron density mixing in the literature. One was proposed by Johnson and implemented in the well-known VASP code.The other was given by Eyert. We solve the Kohn-Sham equation by using a conventional outward/inward integration of the differential equation and then connect two parts of solutions at the classical turning points, which is different from the method of the matrix eigenvalue solution as used in the VASP code. Compared to Johnson＇s algorithm, the one proposed by Eyert needs fewer total iteration numbers.
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 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Supported by the Key Project of Education Department of China under Grant No 211035the Science Foundation from Education Department of Liaoning Province under Grant No L2014445
文摘Arsenic can diffuse into high-κ dielectrics during OaAs-based metal oxide semiconductor transistor process, which causes the degradation of gate dielectrics. To explore the origins of the degradation, we employ nonlocal B3LYP hybrid functional to study arsenic related defects in ZrO2. Via band alignments between the OaAs and ZrO2, we are able to determine the defect formation energy in the GaAs relative to the ZrO2 band gap and assess how they will affect the device performance. Arsenic at the interstitial site serves as a source of positive fixed charge while at the oxygen or zirconium substitutional site changes its charge state within the band gap of GaAs. Moreover, it is found that arsenic related defects produce conduction band offset reduction and gap states, which will increase the gate leakage current.
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ACKNOWLEDGMENTS This work was supported by the National Natural Science Foundation of China （No.51271198） and Self- Topics Fund of Xi＇an Research Institute of High Technology （No.YX2012cxpy06）. Ru-song Li would like to thank Wen Li from Xi＇an Research Institute of Hi-Tech for useful discussions and studentship support.
文摘We performed density functional theory calculations of O2, CO2, and H2O chemisorption on the UN（001） surface using the generalized gradient approximation and PW91 exchangecorrelation functional at non-spin polarized level with the periodic slab model. Chemisorption energies vs. molecular distance from UN（001） surface were optimized for four symmetrical chemisorption sites. The results showed that the bridge parallel, hollow parallel and bridge hydrogen-up adsorption sites were the most stable site for O2, CO2, and H2O molecular with chemisorption energies of 14.48, 4.492, and 5.85 kJ/mol, respectively. From the point of adsorbent （the UN（001） surface）, interaction of O2 with the UN（001） surface was of the maximum magnitude, then CO2 and H2O, indicating that these interactions were associated with structures of the adsorbate. O2 chemisorption caused N atoms on the surface to migrate into the bulk, however CO2 and H2O had a moderate and negligible effect on the surface, respectively. Calculated electronic density of states demonstrated the electronic charge transfer between s, p orbital in chemisorption molecular and U6d, U5f orbital.
基金The work is financially supported by the National Natural Science Foundation of China (No.59972031)and the Scientific Research Fund of Hunan Provincial Education Department (No.01C248). Authors wish to express their sincere appreciation to these sponsors
文摘The analytical expression of the electronic density of states (DOS) for single-walled carbon nanotubes (SWNTs) has been derived on the basis of graphene approximation of the energy E(k) near the Fermi level EF. The distinctive properties of the DOS, the normalized differential conductivity and the current us bias for SWNTs are deduced and analyzed theoretically. The singularities in the DOS (or in the normalized differential conductivity) predict that the jump structure of current (or conductance)-bias of SWNTs exists. All conclusions from the theoretical analysis are in well agreement with the experimental results of SWNT's electronic structure and electronic transport. In other words, the simple theoretical model in this paper can be applied to understand a range of spectroscopic and other measurement data related to the DOS of SWNTs.
基金This work was supported by the National Natural Science Foundation of China （No.51063006 and No.50975273） and the ＂QingLan＂ Talent Engineering Funds of Tianshui Normal University.
文摘Inverse halogen bonds interactions involving Br in the electronic deficiency systems of CH3＋...Br-Y （Y=H, CCH, CN, NC） have been investigated by B3LYP/6- 311＋＋G（d, p） and MP2/6-311＋＋G（d, p） methods. The calculated interaction energies with basis set super-position error correction of the four IXBs complexes are 218.87, 219.48, 159.18, and 143.05kJ/mol （MP2/6-311＋＋G（d, p））, respectively. The relative stabilities of the four complexes increased in the order： CH3＋ … BrCN〈CH3＋…- BrNC〈CH3＋… BrH≈CH3＋ …BrCCH. Natural bond orbital theory analysis and the chemical shifts calculation of the related atoms revealed that the charges flow from Br-Y to CH3e. Here, the Br of Br-Y acts as both a halogen bond donor and an electron donor. Therefore, compared with conventional halogen bonds, the IXBs complexes formed between Br-Y and CH3＋. Atoms-in-molecules theory has been used to investigate the topological properties of the critical points of the four IXBs structures which have more covalent content.
基金supported by the National Basic Research Program of China (Grant No. 2011CB606401)
文摘We investigate the structural, electronic and adsorption properties of one single CO molecule adsorbed on RhN （N = 2-19） clusters, using the density-functional theory in the spin-polarized generalized gradient approximation. It is found that the structural growth model of the RhN clusters transforms from double layers （N = 12-16） to three layers （N ： 17-19）. Three different adsorption types are the atop site adsorption for N = 6, 8, 9, 11, 12, the bridge site adsorption for N ： 2-5, 7, 10, 13-15, 17 and the face adsorption for N = 16, 18, 19. The adsorption abilities of RhN clusters are related to C-O bond length, vibrational frequency, adsorption energy and the charge transfer between CO and Rh clusters as well as the electronic density of state. With the increase of Rh cluster size, the adsorption energy of CO adsorbed on RhN clusters tends to be 2.2 eV-2.3 eV, which is 0.2 eV-0.3 eV larger than the theoretical value （about 2.0 eV） of CO molecule adsorption on clean Rh （111） surface.
文摘To address the sensitive and uncertain limitations of single-energy computed tomography(CT)calibration methods in computing proton stopping power ratio during treatment planning,different methods have been proposed using a dual energy CT approach.This paper reviews the most recent dual-energy CT approaches for computing proton stopping power ratio.These include image domain and projection domain methods.The advantages and uncertainties of these methods are analyzed based on existing studies.This paper highlights recent advances in dual energy CT,discussing their implementation,advantages,limitations,and potential for clinical adoption.
文摘Aiming at the gas discharge problem in electric aircraft,this work studies the gas discharge characteristics at low-temperature sub-atmospheric pressure.A gas discharge shooting platform was built,and the discharge process was photographed by intensified charge-coupled device(ICCD).A two-dimensional axisymmetric model of needle-plate electrode gas discharge was established,and three sets of Helmholtz equations were used to solve the photoionization.The results show that under the same voltage,the electric field intensity in the discharge process increases first,then decreases and finally increases again.The discharge speed increases with the increase of altitude,and the electron density in the streamer decreases with the increase of altitude.The development speed of the streamer in the middle stage is higher than that in the early stage,and the speed increases more obviously with the increase of altitude.The development speed of the streamer in the later stage is lower than that in the middle stage,but with the increase of altitude,the development speed of the streamer in the later stage is higher than that in the middle stage.
基金supported by the National Key Lab of Aerospace Power System and Plasma Technology Foundation,China(No.6142202210101)the National Science and Technology Major Project,China(No.J2019-Ⅲ-0013-0056)+2 种基金the National Natural Science Foundation of China(No.52025064)supported by the National Natural Science Foundation of China(Nos.52350072 and 52277167)the Beijing Natural Science Foundation,China(No.1242030)。
文摘Plasma-assisted combustion technology has been a hot spot in aero-engines andscramjet-engines.The electron density is a key discharge parameter related to the active-particledensity.The latter has been considered playing an important role in the above applications bythe kinetic effect.In this work,an atmospheric pressure air plasma collisional-radiative model con-sidering the excited states of atomic nitrogen and oxygen is built based on previous widely kineticinvestigations of molecules and radicals,as well as their excited states.The excited states,especiallythe atomic nitrogen and oxygen states were less investigated in previous works.The emission inten-sity distributions from the model have a good agreement with those measured in the glide arcplasma with two discharge modes,as well as the microwave plasma.Based on the kinetics of molec-ular and atomic emitting states,the line-ratio method is presented to determine the electron density.The N_(2)(337 nm)/O(844 nm)and N_(2)(337 nm)/NO(γ)line ratios are used for the glide arc plasma andmicrowave plasma torch,respectively.Besides,the kinetics of the excited states involved with twoline-ratios are also investigated in the two types of discharges.Combined with the atmospheric pres-sure actinometry method,the kinetic effect of the plasma-assisted combustion can be revealed quan-titatively in the future.
文摘The variations of pauli spin paramagnetic susceptibility and the electronic specific heat of solids, are caiculated as functions of temperature following the free electron approximation, in generalised d-dimensions. The results are compared and become consistent with that obtained in susceptibility becomes independent of temperature only in three dimensions. Interestingly, the Pauli spin paramagnetic two dimensions.
基金financially supported by the National Natural Science Foundation of China(U1867215,11722543,11875211,U1932134)Suzhou Key Industrial Technology Innovation project(SYG201828)+1 种基金Hubei Provincial Natural Science Foundation(2019CFA036)the Fundamental Research Funds for the Central Universities(2042020kf0211)
文摘Despite the tremendous efforts devoted to enhancing the activity of oxygen evolution reaction(OER)catalysts,there is still a huge challenge to deeply understand the electronic structure characteristics of transition metal oxide to guide the design of more active catalysts.Herein,Fe_(3)O_(4)with oxygen vacancies(Fe_(3)O_(4)-Vac)was synthesized via Ar ion irradiation method and its OER activity was greatly improved by properly modulating the electron density around Fe atoms.The electron density of Fe_(3)O_(4)-Vac around Fe atoms increased compared to that of Fe_(3)O_(4)according to the characterization of synchrotron-based X-ray absorption near-edge structure(XANES),extended X-ray absorption fine structure(EXAFS)spectra,and density functional theory(DFT)calculation.Moreover,the DFT results indicate the enhancement of the desorption of HOO^(*)groups which significantly reduced the OER reaction barrier.Fe_(3)O_(4)-Vac catalyst shows an overpotential of 353 m V,lower than that of Fe OOH(853 m V)and Fe_(3)O_(4)(415 m V)at 10 m A cm^(-2),and a low Tafel slope of 50 m V dec^(-1)in 1 M KOH,which was even better than commercial RuO_(2)at high potential.This modulation approach provides us with valuable insights for exploring efficient and robust water-splitting electrocatalysts.
基金supported by the EC Framework 7 IMPROVE research project (IR -2008-0013)the Science Foundation Ireland PRECISION project (08-SRC-I1411)
文摘This work investigates internal plasma process parameters using a hairpin resonance probe and optical emission spectroscopy. The dependence of electron density and atomic fluorine on the percentage of oxygen in an SF6/O2 discharge was measured using these methods. An RIE Oxford Instruments 80 plus chamber was used for the experiments. Two different process powers （100 W and 300 W） at a constant pressure （100 mTorr） were used, and it was found that the optical emission intensity of the 703.7 nm and 685.6 nm lines of atomic fluorine increased rapidly as oxygen was added to the SF6 discharge, reached their maximum at an O2 fraction of 20% and then decreased with further addition of oxygen. The plasma electron density was also strongly influenced by the addition of O2.
基金supported by National Natural Science Foundation of China(Nos.11375195,11275059)the National Magnetic Confinement Fusion Science Program of China(No.2013GB104003)
文摘In the real-time plasma electron density measurement using far infrared （FIR） laser interferometry, the plasma electron density can be calculated by measuring the real time phase difference between the reference signal and the probe signal. A novel Real-time Phase Jump Process （RPJP） method is applied to the HL-2A tokamak. With this method, the phase difference 1 precision is up to 1/3600 fringe （1 fringe is equal to a phase shift of 2π）, and the dynamic measure- ment range is extensible 65536 fringes. The time resolution of the phase difference is 80 ns, while the feedback delay is 180 its.
基金supported by National Major Base Projects of China
文摘Emission spectra of a semiconductor bridge （SCB） plasma in a visible range was studied in air. The electron density was measured in a conventional way from the broadening of the Al Ⅰ 394.4 nm Stark width. Based on the Saha equation, a system for recording the intensity of Si Ⅰ 390.5 nm and Si Ⅱ 413.1 nm was designed. With this technique, the SCB plasma electron density was measured well and accurately. Moreover, the electron density distribution Vs time was acquired from one SCB discharge. The individual result from the broadening of the Al Ⅰ 394.4 nm Stark width and Saha equation was all in the range of 1015 cm^-3 to 1016 cm^-3. Finally the presumption of the local thermodynamic equilibrium （LTE） condition was validated.
