With the rapid development of machine learning,the prediction of the performance of acoustic meta-materials using neural networks is replacing the traditional experiment-based testing methods.In this paper,a Gini impu...With the rapid development of machine learning,the prediction of the performance of acoustic meta-materials using neural networks is replacing the traditional experiment-based testing methods.In this paper,a Gini impurity-based artificial neural network structural optimizer(GIASO)is proposed to optimize the neural network structure,and the effects of five different initialization algorithms on the model performance and struc-ture optimization are investigated.Two physically guided models with additional resonant frequencies and sound transmission loss formula are achieved to further improve the prediction accuracy of the model.The results show that GIASO utilizing the gray wolf optimizer as the initialization method can significantly improve the prediction performance of the model.Simultaneously,the physical guidance model with additional resonant frequencies has the best performance and can better predict the edge data points.Eventually,the effect of each input parameter on the sound transmission loss is explained by combining sensitivity analysis and theoretical formulation.展开更多
In past decades,ABX_(3) halide perovskites have attracted great interest in solar cells due to excellent opto-electronic properties,such as high carrier mobility.However,instability and toxicity are obstacles on the c...In past decades,ABX_(3) halide perovskites have attracted great interest in solar cells due to excellent opto-electronic properties,such as high carrier mobility.However,instability and toxicity are obstacles on the commercial route for perovskites.Many studies have turned to exploring A_(2) BX_(6) and A_(3) B_(2) X_(9) for better stability.Unfortunately,the carrier mobilities of these two types are inferior to ABX_(3),lower by an order of magnitude.Furthermore,the mobility of ABX_(3) is distributed over a large range of 1.78-4500 cm^(2) V^(−1) s^(−1) in experiments,which contributes to another diversity of mobilities.In this paper,we aim at reveal-ing the physical origin of the above-mentioned diversities by theoretical studies on CsBX_(3),Cs_(2) BX_(6),and Cs_(3) B_(2) X_(9)(B=Sn,Pb,Sb,Bi,X=Br,Cl).The difference in group velocities is the major reason responsible for the variation in these types.The unique three-dimensional connected conductive network of CsBX_(3) determines its large group velocity.As for carrier scattering,ionized impurity scattering dominates at low carrier and high ionized impurity concentrations.Detailed analysis reveals that band degeneracy is strongly related to the impurity scattering rate,while dielectric constant is almost immune.Our study provides a better understanding of the relationship between electronic structures and mobilities for po-tential applications in photovoltaics.展开更多
During the EAST radiative divertor experiments,one of the key challenges was how to avoid the occurrence of disruptive events caused by excessive impurity seeding.To estimate the required impurity fraction for diverto...During the EAST radiative divertor experiments,one of the key challenges was how to avoid the occurrence of disruptive events caused by excessive impurity seeding.To estimate the required impurity fraction for divertor detachment,we introduce a reduced edge plasma radiation model.In the model,based on the momentum conservation along the magnetic field line,the upstream pressure is determined by the plasma density and temperature at the divertor target,and then the impurity radiation loss is obtained by the balance of the heat and particle fluxes.It is found that the required impurity fraction shows a non-monotonic variation with divertor electron temperature(T_(d))when 0.1 eV<T_(d)<10 eV.In the range of 0.1 eV<T_(d)<1 e V,the position near the valley of required impurity fraction corresponds to strong plasma recombination.Due to the dependence of the volumetric momentum loss effect on the T_(d)in the range of 1 eV<T_(d)<10 eV,the required impurity fraction peaks and then decreases as T_(d)is increased.Compared to neon,the usage of argon reduces the impurity fraction by about twice.In addition,for the various fitting parameters in the pressure-momentum loss model,it is shown that the tendency of required impurity fraction with T_(d)always increases first and then decreases in the range of 1 eV<T_(d)<10 eV,but the required impurity fraction decreases when the model that characterizes the strong loss in pressure momentum is used.展开更多
High purity magnesium is not only an important basic raw material for semiconductor and electronics industries,but also a promising new generation of electrochemical energy storage materials and biomedical materials.I...High purity magnesium is not only an important basic raw material for semiconductor and electronics industries,but also a promising new generation of electrochemical energy storage materials and biomedical materials.Impurities in high-purity magnesium affect material properties,which has become the most critical factor restricting its application.However,accurate analysis of multiple ultra-trace impurity elements in high-purity magnesium is extremely challenging.In this paper,based on the synergistic effect of N_(2)O/H_(2) reaction gas mixture to eliminate spectral interference of inductively coupled plasma tandem mass spectrometry(ICP-MS/MS),a new strategy for the quantification of 45 ultra-trace impurity elements in high-purity magnesium was proposed.The results indicated that the limits of detection(LOD)were in the range of 0.02–18.5 ng L^(−1);the LODs of the challenging non-metallic elements Si and S were 18.5 and 12.2 ng L^(−1),respectively;and the LODs of all the other analytes were less than 10 ng L^(−1).Even under hot plasma conditions,LODs of alkali metal elements were also less than 5 ng L^(−1).The spike recovery of each analyte was 93.6%–107%,and the relative standard deviation(RSD)was 3.2%–6.9%,respectively.At a 95%level of confidence,no significant differences were found between the results obtained under the optimal conditions for the analyte with the developed method and the measurement results of SF-ICP-MS.The developed method indicated low LOD,high sample throughput,and complete interference elimination,demonstrating a new avenue for the rapid determination of ultra-trace elements in high-purity magnesium.展开更多
Tearing modes may play an important role in the density limit disruption.The Magnetohydrodynamic(MHD)code CLT with impurity modules is used to study the tearing mode excited and driven by impurity radiation.The impuri...Tearing modes may play an important role in the density limit disruption.The Magnetohydrodynamic(MHD)code CLT with impurity modules is used to study the tearing mode excited and driven by impurity radiation.The impurity radiation can lead to plasma contraction and local enhancement of the current density.When the locally enhanced region of the current density approaches to the resonance surface,the tearing mode can be excited,even if the tearing mode is stable in the initial equilibrium.Through a scan of the initial atomic number(Z)and impurity concentrations,it is found that impurities with different Z values exhibit similar behaviors in the radiation-driven tearing mode.The impurity radiation can drive tearing mode growth through temperature cooling near the resonance surface,and there exists a linear relationship between the temperature perturbation caused by impurity radiation and the linear growth rate of the tearing mode.Additionally,the impurity can promote the growth of magnetic islands through the radiation cooling inside the magnetic island,and there exists a correlation between the initial parameters of impurity and the width of the saturated magnetic island.展开更多
In order to further promote the application of SiC refractories in modern steel metallurgy,the occurrence forms and formation mechanism of impurities in SiC crystals smelted by Acheson process were investigated.The te...In order to further promote the application of SiC refractories in modern steel metallurgy,the occurrence forms and formation mechanism of impurities in SiC crystals smelted by Acheson process were investigated.The techniques of inductively coupled plasma-atomic emission spectrometry,X-ray diffraction,and scanning electron microscopy were combined to examine the types and occurrence forms of impurities in smelted SiC crystals.The results showed that the main impurities in the SiC are free Si,free C,oxides(CaO·Al_(2)O_(3)·2SiO_(2),3Al_(2)O_(3)·2SiO_(2),CaO·SiO_(2) and SiO_(2))and alloy phases(Fe_(x)Si_(y),Fe_(x)Si_(y)Ti_(z) and Fe_(x)Al_(y)Si_(z)).The formation process of impurities during the smelting of SiC can be described as follows:At high temperature,the SiO_(2) and Fe,Ti related oxide impurities present in the raw materials are reduced to Si,Fe,and Ti metal melts.After the reduction process,the free Si,Fe_(x)Si_(y) and Fe_(x)Si_(y)Ti_(z) are precipitated from the melt during cooling.Free Si primarily exists in aggregated form within the SiC crystal,while the alloy phase is predominantly found at the interface between SiC and free Si,with Fe_(x)Si_(y)Ti_(z) embedded within FexSiy.Towards the end of the cooling process,other impurity oxides such as Al_(2)O_(3),CaO,and some unreduced SiO_(2) solidify to form calcium-aluminum-silicate glass phases,predominantly located between SiC grains.The remaining C from the reaction is mainly dispersed as free C within the SiC crystal and at the interface between SiC and free Si.展开更多
In the Large Helical Device(LHD),diborane(B2H6)is used as a standard boron source for boronization,which is assisted by helium glow discharges.In 2019,a new Impurity Powder Dropper(IPD)system was installed and is unde...In the Large Helical Device(LHD),diborane(B2H6)is used as a standard boron source for boronization,which is assisted by helium glow discharges.In 2019,a new Impurity Powder Dropper(IPD)system was installed and is under evaluation as a real-time wall conditioning technique.In the LHD,which is a large-sized heliotron device,an additional helium(He)glow discharge cleaning(GDC)after boronization was operated for a reduction in hydrogen recycling from the coated boron layers.This operational time of 3 h was determined by spectroscopic data during glow discharges.A flat hydrogen profile is obtained on the top surface of the coated boron on the specimen exposed to boronization.The results suggest a reduction in hydrogen at the top surface by He-GDC.Trapped oxygen in coated boron was obtained by boronization,and the coated boron,which has boron-oxide,on the first wall by B-IPD was also shown.Considering the difference in coating areas between B2H6 boronization and B-IPD operation,it would be most effective to use the IPD and B2H6 boronization coating together for optimized wall conditioning.展开更多
This paper theoretically studies the impurity states and the effects of impurity concentration and configuration on the optical,electrical,and statistical properties of CdSe nanoplatelets(NPLs).An image charge-based m...This paper theoretically studies the impurity states and the effects of impurity concentration and configuration on the optical,electrical,and statistical properties of CdSe nanoplatelets(NPLs).An image charge-based model of electron-impurity interaction is proposed.The charge-carrier energy spectra and corresponding wave functions depending on the impurity number and configuration are calculated.The electron binding energies are calculated for different NPL thicknesses.It is shown that the image charge-based interaction potential that arises due to the dielectric constants mismatch is much stronger than the interaction potential that does not take such a mismatch into account.Also,it is demonstrated that the binding energies are increasing with the number of impurities.We calculate the canonical partition function using the energy levels of the electron,which in turn is used to obtain the mean energy,heat capacity,and entropy of the non-interacting electron gas.The thermodynamic properties of the non-interacting electron gas that depend on the geometric parameters of the NPL,impurity number,configuration,and temperature are studied.展开更多
The effects of impurities on ion temperature gradient(ITG)driven turbulence transport in tokamak core plasmas are investigated numerically via global simulations of microturbulence with carbon impurities and adiabatic...The effects of impurities on ion temperature gradient(ITG)driven turbulence transport in tokamak core plasmas are investigated numerically via global simulations of microturbulence with carbon impurities and adiabatic electrons.The simulations use an extended fluid code(ExFC)based on a four-field gyro-Landau-fluid(GLF)model.The multispecies form of the normalized GLF equations is presented,which guarantees the self-consistent evolution of both bulk ions and impurities.With parametric profiles of the cyclone base case,well-benchmarked ExFC is employed to perform simulations focusing on different impurity density profiles.For a fixed temperature profile,it is found that the turbulent heat diffusivity of bulk ions in a quasi-steady state is usually lower than that without impurities,which is contrary to the linear and quasilinear predictions.The evolutions of the temperature gradient and heat diffusivity exhibit a fast relaxation process,indicating that the destabilization of the outwardly peaked impurity profile is a transient state response.Furthermore,the impurity effects from different profiles can obviously influence the nonlinear critical temperature gradient,which is likely to be dominated by linear effects.These results suggest that the improvement in plasma confinement could be attributed to the impurities,most likely through adjusting both heat diffusivity and the critical temperature gradient.展开更多
Achieving the detachment of divertor can help to alleviate excessive heat load and sputtering problems on the target plates,thereby extending the lifetime of divertor components for fusion devices.In order to provide ...Achieving the detachment of divertor can help to alleviate excessive heat load and sputtering problems on the target plates,thereby extending the lifetime of divertor components for fusion devices.In order to provide a fast but relatively reliable prediction of plasma parameters along the flux tube for future device design,a one-dimensional(1D)modeling code for the operating point of impurity seeded detached divertor is developed based on Python language,which is a fluid model based on previous work(Plasma Phys.Control.Fusion 58045013(2016)).The experimental observation of the onset of divertor detachment by neon(Ne)and argon(Ar)seeding in EAST is well reproduced by using the 1D modeling code.The comparison between the 1D modeling and two-dimensional(2D)simulation by the SOLPS-ITER code for CFETR detachment operation with Ne and Ar seeding also shows that they are in good agreement.We also predict the radiative power loss and corresponding impurity concentration requirement for achieving divertor detachment via different impurity seeding under high heating power conditions in EAST and CFETR phase II by using the 1D model.Based on the predictions,the optimized parameter space for divertor detachment operation on EAST and CFETR is also determined.Such a simple but reliable 1D model can provide a reasonable parameter input for a detailed and accurate analysis by 2D or three-dimensional(3D)modeling tools through rapid parameter scanning.展开更多
By using the numerical renormalization group(NRG)method,we construct a large dataset with about one million spectral functions of the Anderson quantum impurity model.The dataset contains the density of states(DOS)of t...By using the numerical renormalization group(NRG)method,we construct a large dataset with about one million spectral functions of the Anderson quantum impurity model.The dataset contains the density of states(DOS)of the host material,the strength of Coulomb interaction between on-site electrons(U),and the hybridization between the host material and the impurity site(Γ).The continued DOS and spectral functions are stored with Chebyshev coefficients and wavelet functions,respectively.From this dataset,we build seven different machine learning networks to predict the spectral function from the input data,DOS,U,andΓ.Three different evaluation indexes,mean absolute error(MAE),relative error(RE)and root mean square error(RMSE),are used to analyze the prediction abilities of different network models.Detailed analysis shows that,for the two kinds of widely used recurrent neural networks(RNNs),gate recurrent unit(GRU)has better performance than the long short term memory(LSTM)network.A combination of bidirectional GRU(BiGRU)and GRU has the best performance among GRU,BiGRU,LSTM,and BiLSTM.The MAE peak of BiGRU+GRU reaches 0.00037.We have also tested a one-dimensional convolutional neural network(1DCNN)with 20 hidden layers and a residual neural network(ResNet),we find that the 1DCNN has almost the same performance of the BiGRU+GRU network for the original dataset,while the robustness testing seems to be a little weak than BiGRU+GRU when we test all these models on two other independent datasets.The ResNet has the worst performance among all the seven network models.The datasets presented in this paper,including the large data set of the spectral function of Anderson quantum impurity model,are openly available at https://doi.org/10.57760/sciencedb.j00113.00192.展开更多
Ion-absorbed rare-earth ore is an important mineral resource which is widely extracted by in-situ leaching process. And such process generates a significant amount of impurities such as aluminum and iron ions in leach...Ion-absorbed rare-earth ore is an important mineral resource which is widely extracted by in-situ leaching process. And such process generates a significant amount of impurities such as aluminum and iron ions in leaching solution simultaneously. The surface characteristics and interactions by infrared spectroscopy and X-ray diffraction were studied to optimize the leaching conditions. It is found that the environment-friendly depressant LG-01 can react with the impurity ions through the formation of a new complex on the surface of leaching residues. Thus, it reduces significantly the concentration of impurity ions in leaching solution and improves the leaching rate of rare-earth ore. Moreover, a leaching rate of 95.6% and an impurity removal rate of 92% have been achieved under the optimized conditions.展开更多
Six kinds of galena with different impurities were synthesized and the effects of impurities on the floatability of galena were investigated. The thermodynamic and kinetic parameters on the galena surface were measure...Six kinds of galena with different impurities were synthesized and the effects of impurities on the floatability of galena were investigated. The thermodynamic and kinetic parameters on the galena surface were measured using microcalorimetry, and the adsorption configuration and energy of butyl xanthate on the surfaces of galena with different impurities were simulated by density functional theory. Flotation experiments showed that Ag and Bi significantly promoted the recovery of galena, while Zn, Sb, Mn, and Cu reduced the recovery of the flotation. Microthermokinetic results indicated that the absolute value of xanthate adsorption heat was directly proportional to the flotation recovery of galena. Adsorption heat and reaction rate coefficients of xanthate on galena containing Ag or Bi were larger than those on pure galena, but smaller on galena containing Cu or Sb. Additionally, the relationship between the heat of unsaturated adsorption of xanthate and the adsorption energy of impurity atom on galena surface was investigated.展开更多
The electronic property of pyrite supercell containing As,Se,Te,Co or Ni hetero atoms were calculated using density functional theory（DFT）,and the reactivities of pyrite with oxygen and xanthate were discussed by fr...The electronic property of pyrite supercell containing As,Se,Te,Co or Ni hetero atoms were calculated using density functional theory（DFT）,and the reactivities of pyrite with oxygen and xanthate were discussed by frontier orbital methods.The cell volume expands due to the presence of impurity.Co and Ni mainly affect the bands near Fermi levels,while As mainly affects the shallow and deep valence bands,and Se and Te mainly affect the deep valence bands.Electronic density analysis suggests that there exists a strong covalent interaction between hetero atom and its surrounding atoms.By frontier orbital calculation,it is suggested that As,Co and Ni have greater influence on the HOMO and LUMO of pyrite than Se and Te.In addition,pyrite containing As,Co or Ni is easier to oxidize by oxygen than pyrite containing Se or Te,and pyrite containing Co or Ni has greater interaction with collector.These are in agreement with the observed pyrite practice.展开更多
Effect of sulfur impurity on coke reactivity was investigated by simulating petroleum coke with low-impurity pitch coke and impurities doping. And its mechanism was discussed by X-ray diffraction (XRD), scanning elect...Effect of sulfur impurity on coke reactivity was investigated by simulating petroleum coke with low-impurity pitch coke and impurities doping. And its mechanism was discussed by X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectrometer (EDS). The results show that sulfur has strong catalysis on both air and CO2 reactivity of coke in the case of no other impurity interference. Its catalysis is probably realized by triggering organic sulfur→H2S→SO2→COS and elemental sulfur (Sx)→SO2 and organic sulfur→H2S→COS→Sx→C2S→COS reaction systems during coke?O2 and coke?CO2 reactions, respectively, which are partly circular with functions of increasing carbon consumption and enlarging coke specific surface area.展开更多
We report herein the synthesis of impurity B of Flumazenil via demethylation, benzyl protection, cyclization and debenzylation from 7-methoxyl-3,4-dihydro-4-methyl-2H-1,4-benzo-diazepine-2,5（1H）-dione. The structure...We report herein the synthesis of impurity B of Flumazenil via demethylation, benzyl protection, cyclization and debenzylation from 7-methoxyl-3,4-dihydro-4-methyl-2H-1,4-benzo-diazepine-2,5（1H）-dione. The structure of impurity B of Flurnazenil was confirmed by 1n N/V[R, 13C NMR and HRMS, and the overall yield was 29.3%. The finding will be helpful for optimizing the synthetic process and quality control of Flumazenil.展开更多
Fuel cell electric vehicles hold great promise for a diverse range of applications in reducing greenhouse gas emissions.In power fuel cell systems,hydrogen fuel serves as an energy vector.To ensure its suitability,it ...Fuel cell electric vehicles hold great promise for a diverse range of applications in reducing greenhouse gas emissions.In power fuel cell systems,hydrogen fuel serves as an energy vector.To ensure its suitability,it is necessary for the quality of hydrogen to adhere to the standards set by ISO 14687:2019,which sets maximum limits for 14 impurities in hydrogen,aiming to prevent any degradation of fuel cell performance.Ammonia(NH_(3))is a prominent pollutant in fuel cells,and accurate measurements of its concentration are crucial for hydrogen fuel cell quantity.In this study,a novel detection platform was developed for determining NH_(3)in real hydrogen samples.The online analysis platform integrates a self-developed online dilution module with a Fourier transform infrared spectrometer(ODM-FTIR).The ODM-FTIR can be operated fully automatically with remote operation.Under the optimum conditions,this method achieved a wide linear range between(50∼1000)nmol/mol.The limit of detection(LOD)was as low as 2 nmol/mol with a relative standard deviation(RSD,n=7)of 3.6%at a content of 50 nmol/mol.To ensure that the quality of the hydrogen products meets the requirement of proton exchange membrane fuel cell vehicles(PEMFCV),the developed ODM-FTIR system was applied to monitor the NH_(3)content in Chengdu Hydrogen Energy Co.,Ltd.for 21 days during Chengdu 2021 FISU World University Games.The proposed method retains several unique advantages,including a low detection limit,excellent repeatability,high accuracy,high speed,good stability,and calibration flexibility.It is an effective analytical method for accurately quantifying NH_(3)in hydrogen,especially suitable for online analysis.It also provides a new idea for the analysis of other impurity components in hydrogen.展开更多
The cleanliness of seed cotton plays a critical role in the pre-treatment of cotton textiles,and the removal of impurity during the harvesting process directly determines the quality and market value of cotton textile...The cleanliness of seed cotton plays a critical role in the pre-treatment of cotton textiles,and the removal of impurity during the harvesting process directly determines the quality and market value of cotton textiles.By fusing band combination optimization with deep learning,this study aims to achieve more efficient and accurate detection of film impurities in seed cotton on the production line.By applying hyperspectral imaging and a one-dimensional deep learning algorithm,we detect and classify impurities in seed cotton after harvest.The main categories detected include pure cotton,conveyor belt,film covering seed cotton,and film adhered to the conveyor belt.The proposed method achieves an impurity detection rate of 99.698%.To further ensure the feasibility and practical application potential of this strategy,we compare our results against existing mainstream methods.In addition,the model shows excellent recognition performance on pseudo-color images of real samples.With a processing time of 11.764μs per pixel from experimental data,it shows a much improved speed requirement while maintaining the accuracy of real production lines.This strategy provides an accurate and efficient method for removing impurities during cotton processing.展开更多
The rapid growth of semiconductor,photovoltaic,and other emerging industries has led to a sharp increase in the demand for high-purity quartz in China,particularly 4N5-grade(99.995%pure SiO_(2)).However,heavy reliance...The rapid growth of semiconductor,photovoltaic,and other emerging industries has led to a sharp increase in the demand for high-purity quartz in China,particularly 4N5-grade(99.995%pure SiO_(2)).However,heavy reliance on imported high-purity quartz poses a significant risk to the security of key national strategic industries.To address this challenge,China is focusing on identifying domestic sources of high-purity quartz and developing efficient evaluation methods.This study investigates the inclusion content in three types of quartz:pegmatite,vein quartz,and white granite.A grading system based on the transmittance of quartz grains was established by analyz-ing the number of inclusions.Five quartz ore samples from different regions were purified,and the resulting concentrates were analyzed using inductively coupled plasma mass spectrometry(ICP-MS).The relationships among the inclusion content of raw quartz,impurity composition of purified quartz,and quality of sintered fused quartz products were examined.The findings demonstrate that quartz with fewer inclusions results in lower impurity levels after purification,higher SiO_(2)purity,and more translucent glass,as confirmed by firing tests.Herein,this study establishes a clear connection between quartz inclusions and the overall quality of high-purity quartz.The pro-posed approach enables the rapid assessment of quartz deposit quality by identifying inclusions,offering a practical and efficient method for locating high-quality quartz resources.展开更多
Magnesium(Mg),as one of the most abundant elements in earth's crust,is the lightest structural metal with extensive applications across various industries.However,the performance of Mg-based products is highly dep...Magnesium(Mg),as one of the most abundant elements in earth's crust,is the lightest structural metal with extensive applications across various industries.However,the performance of Mg-based products is highly dependent on their impurity levels,and the lack of high-purity Mg,along with efficient purification method,has posed significant challenge to its widespread industrial adoption.This study investigates the impurity behavior in Mg ingots during the vacuum gasification purification process.Through the analysis of binary phase diagrams,iron(Fe)-based foam material was selected for the filtration and purification of Mg vapor in a vacuum tube furnace.A novel approach combining vacuum gasification,vapor purification,and directional condensation is proposed.The effect of filter pore sizes and filtration temperatures on the efficacy of impurity removal was evaluated.Experimental results demonstrate that Fe-based foam with a pore size of 60 ppi,at a filtration temperature of 773 K,effectively removes impurities such as calcium(Ca),potassium(K),sodium(Na),manganese(Mn),silicon(Si),aluminum(Al),and various oxides,sulfides,and chlorides from the vapor phase.Consequently,high-purity Mg with a purity level exceeding 5N3 was obtained in the condensation zone.展开更多
基金the Science and Technology Commission of Shanghai Municipality(No.19030501100)the Technical Service Platform for Vibration and Noise Testing and Control of New Energy Vehicles(No.18DZ2295900)。
文摘With the rapid development of machine learning,the prediction of the performance of acoustic meta-materials using neural networks is replacing the traditional experiment-based testing methods.In this paper,a Gini impurity-based artificial neural network structural optimizer(GIASO)is proposed to optimize the neural network structure,and the effects of five different initialization algorithms on the model performance and struc-ture optimization are investigated.Two physically guided models with additional resonant frequencies and sound transmission loss formula are achieved to further improve the prediction accuracy of the model.The results show that GIASO utilizing the gray wolf optimizer as the initialization method can significantly improve the prediction performance of the model.Simultaneously,the physical guidance model with additional resonant frequencies has the best performance and can better predict the edge data points.Eventually,the effect of each input parameter on the sound transmission loss is explained by combining sensitivity analysis and theoretical formulation.
基金supported by the National Key Research and Development Program of China(No.2021YFB3502200)the National Natural Science Foundation of China(Nos.52172216 and 92163212)+1 种基金support from the Shanghai Engi-neering Research Center for Integrated Circuits and Advanced Dis-play Materialssupported by Shanghai Techni-cal Service Center of Science and Engineering Computing,Shanghai University and Hefei Advanced Computing Center.
文摘In past decades,ABX_(3) halide perovskites have attracted great interest in solar cells due to excellent opto-electronic properties,such as high carrier mobility.However,instability and toxicity are obstacles on the commercial route for perovskites.Many studies have turned to exploring A_(2) BX_(6) and A_(3) B_(2) X_(9) for better stability.Unfortunately,the carrier mobilities of these two types are inferior to ABX_(3),lower by an order of magnitude.Furthermore,the mobility of ABX_(3) is distributed over a large range of 1.78-4500 cm^(2) V^(−1) s^(−1) in experiments,which contributes to another diversity of mobilities.In this paper,we aim at reveal-ing the physical origin of the above-mentioned diversities by theoretical studies on CsBX_(3),Cs_(2) BX_(6),and Cs_(3) B_(2) X_(9)(B=Sn,Pb,Sb,Bi,X=Br,Cl).The difference in group velocities is the major reason responsible for the variation in these types.The unique three-dimensional connected conductive network of CsBX_(3) determines its large group velocity.As for carrier scattering,ionized impurity scattering dominates at low carrier and high ionized impurity concentrations.Detailed analysis reveals that band degeneracy is strongly related to the impurity scattering rate,while dielectric constant is almost immune.Our study provides a better understanding of the relationship between electronic structures and mobilities for po-tential applications in photovoltaics.
基金supported by National Natural Science Foundation of China(No.12375227)Innovation in Fusion Engineering Technology of Institute(No.E35QT1080C)。
文摘During the EAST radiative divertor experiments,one of the key challenges was how to avoid the occurrence of disruptive events caused by excessive impurity seeding.To estimate the required impurity fraction for divertor detachment,we introduce a reduced edge plasma radiation model.In the model,based on the momentum conservation along the magnetic field line,the upstream pressure is determined by the plasma density and temperature at the divertor target,and then the impurity radiation loss is obtained by the balance of the heat and particle fluxes.It is found that the required impurity fraction shows a non-monotonic variation with divertor electron temperature(T_(d))when 0.1 eV<T_(d)<10 eV.In the range of 0.1 eV<T_(d)<1 e V,the position near the valley of required impurity fraction corresponds to strong plasma recombination.Due to the dependence of the volumetric momentum loss effect on the T_(d)in the range of 1 eV<T_(d)<10 eV,the required impurity fraction peaks and then decreases as T_(d)is increased.Compared to neon,the usage of argon reduces the impurity fraction by about twice.In addition,for the various fitting parameters in the pressure-momentum loss model,it is shown that the tendency of required impurity fraction with T_(d)always increases first and then decreases in the range of 1 eV<T_(d)<10 eV,but the required impurity fraction decreases when the model that characterizes the strong loss in pressure momentum is used.
基金supported by the Natural Science Foundation of China(52171103 and 21975289).
文摘High purity magnesium is not only an important basic raw material for semiconductor and electronics industries,but also a promising new generation of electrochemical energy storage materials and biomedical materials.Impurities in high-purity magnesium affect material properties,which has become the most critical factor restricting its application.However,accurate analysis of multiple ultra-trace impurity elements in high-purity magnesium is extremely challenging.In this paper,based on the synergistic effect of N_(2)O/H_(2) reaction gas mixture to eliminate spectral interference of inductively coupled plasma tandem mass spectrometry(ICP-MS/MS),a new strategy for the quantification of 45 ultra-trace impurity elements in high-purity magnesium was proposed.The results indicated that the limits of detection(LOD)were in the range of 0.02–18.5 ng L^(−1);the LODs of the challenging non-metallic elements Si and S were 18.5 and 12.2 ng L^(−1),respectively;and the LODs of all the other analytes were less than 10 ng L^(−1).Even under hot plasma conditions,LODs of alkali metal elements were also less than 5 ng L^(−1).The spike recovery of each analyte was 93.6%–107%,and the relative standard deviation(RSD)was 3.2%–6.9%,respectively.At a 95%level of confidence,no significant differences were found between the results obtained under the optimal conditions for the analyte with the developed method and the measurement results of SF-ICP-MS.The developed method indicated low LOD,high sample throughput,and complete interference elimination,demonstrating a new avenue for the rapid determination of ultra-trace elements in high-purity magnesium.
基金supported by the National Magnetic Confinement Fusion Energy R&D Program of China (Nos.2019YFE03030004 and 2022YFE03100001)。
文摘Tearing modes may play an important role in the density limit disruption.The Magnetohydrodynamic(MHD)code CLT with impurity modules is used to study the tearing mode excited and driven by impurity radiation.The impurity radiation can lead to plasma contraction and local enhancement of the current density.When the locally enhanced region of the current density approaches to the resonance surface,the tearing mode can be excited,even if the tearing mode is stable in the initial equilibrium.Through a scan of the initial atomic number(Z)and impurity concentrations,it is found that impurities with different Z values exhibit similar behaviors in the radiation-driven tearing mode.The impurity radiation can drive tearing mode growth through temperature cooling near the resonance surface,and there exists a linear relationship between the temperature perturbation caused by impurity radiation and the linear growth rate of the tearing mode.Additionally,the impurity can promote the growth of magnetic islands through the radiation cooling inside the magnetic island,and there exists a correlation between the initial parameters of impurity and the width of the saturated magnetic island.
基金supported by the National Natural Science Foundation of China(Grant No.U20A20239).
文摘In order to further promote the application of SiC refractories in modern steel metallurgy,the occurrence forms and formation mechanism of impurities in SiC crystals smelted by Acheson process were investigated.The techniques of inductively coupled plasma-atomic emission spectrometry,X-ray diffraction,and scanning electron microscopy were combined to examine the types and occurrence forms of impurities in smelted SiC crystals.The results showed that the main impurities in the SiC are free Si,free C,oxides(CaO·Al_(2)O_(3)·2SiO_(2),3Al_(2)O_(3)·2SiO_(2),CaO·SiO_(2) and SiO_(2))and alloy phases(Fe_(x)Si_(y),Fe_(x)Si_(y)Ti_(z) and Fe_(x)Al_(y)Si_(z)).The formation process of impurities during the smelting of SiC can be described as follows:At high temperature,the SiO_(2) and Fe,Ti related oxide impurities present in the raw materials are reduced to Si,Fe,and Ti metal melts.After the reduction process,the free Si,Fe_(x)Si_(y) and Fe_(x)Si_(y)Ti_(z) are precipitated from the melt during cooling.Free Si primarily exists in aggregated form within the SiC crystal,while the alloy phase is predominantly found at the interface between SiC and free Si,with Fe_(x)Si_(y)Ti_(z) embedded within FexSiy.Towards the end of the cooling process,other impurity oxides such as Al_(2)O_(3),CaO,and some unreduced SiO_(2) solidify to form calcium-aluminum-silicate glass phases,predominantly located between SiC grains.The remaining C from the reaction is mainly dispersed as free C within the SiC crystal and at the interface between SiC and free Si.
基金supported by NIFS budgets,KOBF031,ULFF004,KUHR032partly supported by JSPS KAKENHI 18K04999+2 种基金JSPS-CAS Bilateral Joint Research Projects,“Control of wall recycling on metallic plasma-facing materials in fusion reactor”2019-2022,(No.GJHZ201984)the Chinese Academy of Sciences President’s International Fellowship Initiative Grant No.2024VMB0003 in FY2023the U.S.Department Of Energy under Contract No.DE-AC02-09CH11466 with Princeton University。
文摘In the Large Helical Device(LHD),diborane(B2H6)is used as a standard boron source for boronization,which is assisted by helium glow discharges.In 2019,a new Impurity Powder Dropper(IPD)system was installed and is under evaluation as a real-time wall conditioning technique.In the LHD,which is a large-sized heliotron device,an additional helium(He)glow discharge cleaning(GDC)after boronization was operated for a reduction in hydrogen recycling from the coated boron layers.This operational time of 3 h was determined by spectroscopic data during glow discharges.A flat hydrogen profile is obtained on the top surface of the coated boron on the specimen exposed to boronization.The results suggest a reduction in hydrogen at the top surface by He-GDC.Trapped oxygen in coated boron was obtained by boronization,and the coated boron,which has boron-oxide,on the first wall by B-IPD was also shown.Considering the difference in coating areas between B2H6 boronization and B-IPD operation,it would be most effective to use the IPD and B2H6 boronization coating together for optimized wall conditioning.
基金funded by the RA Science Committee as part of a‘Leading scientific research support program’within the framework of research project 21AG-1C022。
文摘This paper theoretically studies the impurity states and the effects of impurity concentration and configuration on the optical,electrical,and statistical properties of CdSe nanoplatelets(NPLs).An image charge-based model of electron-impurity interaction is proposed.The charge-carrier energy spectra and corresponding wave functions depending on the impurity number and configuration are calculated.The electron binding energies are calculated for different NPL thicknesses.It is shown that the image charge-based interaction potential that arises due to the dielectric constants mismatch is much stronger than the interaction potential that does not take such a mismatch into account.Also,it is demonstrated that the binding energies are increasing with the number of impurities.We calculate the canonical partition function using the energy levels of the electron,which in turn is used to obtain the mean energy,heat capacity,and entropy of the non-interacting electron gas.The thermodynamic properties of the non-interacting electron gas that depend on the geometric parameters of the NPL,impurity number,configuration,and temperature are studied.
基金supported by National Natural Science Foundation of China(Nos.U1967206 and 12275071)National Key R&D Program of China(No.2017YFE0301201)。
文摘The effects of impurities on ion temperature gradient(ITG)driven turbulence transport in tokamak core plasmas are investigated numerically via global simulations of microturbulence with carbon impurities and adiabatic electrons.The simulations use an extended fluid code(ExFC)based on a four-field gyro-Landau-fluid(GLF)model.The multispecies form of the normalized GLF equations is presented,which guarantees the self-consistent evolution of both bulk ions and impurities.With parametric profiles of the cyclone base case,well-benchmarked ExFC is employed to perform simulations focusing on different impurity density profiles.For a fixed temperature profile,it is found that the turbulent heat diffusivity of bulk ions in a quasi-steady state is usually lower than that without impurities,which is contrary to the linear and quasilinear predictions.The evolutions of the temperature gradient and heat diffusivity exhibit a fast relaxation process,indicating that the destabilization of the outwardly peaked impurity profile is a transient state response.Furthermore,the impurity effects from different profiles can obviously influence the nonlinear critical temperature gradient,which is likely to be dominated by linear effects.These results suggest that the improvement in plasma confinement could be attributed to the impurities,most likely through adjusting both heat diffusivity and the critical temperature gradient.
基金Project supported by the National Key Research and Development Program of China (Grant No.2022YFE03030001)the National Natural Science Foundation of China (Grant No.12075283)。
文摘Achieving the detachment of divertor can help to alleviate excessive heat load and sputtering problems on the target plates,thereby extending the lifetime of divertor components for fusion devices.In order to provide a fast but relatively reliable prediction of plasma parameters along the flux tube for future device design,a one-dimensional(1D)modeling code for the operating point of impurity seeded detached divertor is developed based on Python language,which is a fluid model based on previous work(Plasma Phys.Control.Fusion 58045013(2016)).The experimental observation of the onset of divertor detachment by neon(Ne)and argon(Ar)seeding in EAST is well reproduced by using the 1D modeling code.The comparison between the 1D modeling and two-dimensional(2D)simulation by the SOLPS-ITER code for CFETR detachment operation with Ne and Ar seeding also shows that they are in good agreement.We also predict the radiative power loss and corresponding impurity concentration requirement for achieving divertor detachment via different impurity seeding under high heating power conditions in EAST and CFETR phase II by using the 1D model.Based on the predictions,the optimized parameter space for divertor detachment operation on EAST and CFETR is also determined.Such a simple but reliable 1D model can provide a reasonable parameter input for a detailed and accurate analysis by 2D or three-dimensional(3D)modeling tools through rapid parameter scanning.
基金Project supported by the National Natural Science Foundation of China(Grant No.12174101)the Fundamental Research Funds for the Central Universities(Grant No.2022MS051)。
文摘By using the numerical renormalization group(NRG)method,we construct a large dataset with about one million spectral functions of the Anderson quantum impurity model.The dataset contains the density of states(DOS)of the host material,the strength of Coulomb interaction between on-site electrons(U),and the hybridization between the host material and the impurity site(Γ).The continued DOS and spectral functions are stored with Chebyshev coefficients and wavelet functions,respectively.From this dataset,we build seven different machine learning networks to predict the spectral function from the input data,DOS,U,andΓ.Three different evaluation indexes,mean absolute error(MAE),relative error(RE)and root mean square error(RMSE),are used to analyze the prediction abilities of different network models.Detailed analysis shows that,for the two kinds of widely used recurrent neural networks(RNNs),gate recurrent unit(GRU)has better performance than the long short term memory(LSTM)network.A combination of bidirectional GRU(BiGRU)and GRU has the best performance among GRU,BiGRU,LSTM,and BiLSTM.The MAE peak of BiGRU+GRU reaches 0.00037.We have also tested a one-dimensional convolutional neural network(1DCNN)with 20 hidden layers and a residual neural network(ResNet),we find that the 1DCNN has almost the same performance of the BiGRU+GRU network for the original dataset,while the robustness testing seems to be a little weak than BiGRU+GRU when we test all these models on two other independent datasets.The ResNet has the worst performance among all the seven network models.The datasets presented in this paper,including the large data set of the spectral function of Anderson quantum impurity model,are openly available at https://doi.org/10.57760/sciencedb.j00113.00192.
基金Project(51164010)supported by the National Natural Science Foundation of ChinaProject(2010GZC0048)supported by the Natural Science Foundation of Jiangxi Province,China
文摘Ion-absorbed rare-earth ore is an important mineral resource which is widely extracted by in-situ leaching process. And such process generates a significant amount of impurities such as aluminum and iron ions in leaching solution simultaneously. The surface characteristics and interactions by infrared spectroscopy and X-ray diffraction were studied to optimize the leaching conditions. It is found that the environment-friendly depressant LG-01 can react with the impurity ions through the formation of a new complex on the surface of leaching residues. Thus, it reduces significantly the concentration of impurity ions in leaching solution and improves the leaching rate of rare-earth ore. Moreover, a leaching rate of 95.6% and an impurity removal rate of 92% have been achieved under the optimized conditions.
基金Projects(51464006,51164001)supported by the National Natural Science Foundation of ChinaProject(GJR201147-12)supported by Guangxi Higher Education Institutes Talent Highland Innovation Team Scheme,ChinaProject(2012MDZD038)supported by the Key Scientific Research Project of Guangxi University for Nationalities,China
文摘Six kinds of galena with different impurities were synthesized and the effects of impurities on the floatability of galena were investigated. The thermodynamic and kinetic parameters on the galena surface were measured using microcalorimetry, and the adsorption configuration and energy of butyl xanthate on the surfaces of galena with different impurities were simulated by density functional theory. Flotation experiments showed that Ag and Bi significantly promoted the recovery of galena, while Zn, Sb, Mn, and Cu reduced the recovery of the flotation. Microthermokinetic results indicated that the absolute value of xanthate adsorption heat was directly proportional to the flotation recovery of galena. Adsorption heat and reaction rate coefficients of xanthate on galena containing Ag or Bi were larger than those on pure galena, but smaller on galena containing Cu or Sb. Additionally, the relationship between the heat of unsaturated adsorption of xanthate and the adsorption energy of impurity atom on galena surface was investigated.
基金Project (50864001) supported by the National Natural Science Foundation of China
文摘The electronic property of pyrite supercell containing As,Se,Te,Co or Ni hetero atoms were calculated using density functional theory（DFT）,and the reactivities of pyrite with oxygen and xanthate were discussed by frontier orbital methods.The cell volume expands due to the presence of impurity.Co and Ni mainly affect the bands near Fermi levels,while As mainly affects the shallow and deep valence bands,and Se and Te mainly affect the deep valence bands.Electronic density analysis suggests that there exists a strong covalent interaction between hetero atom and its surrounding atoms.By frontier orbital calculation,it is suggested that As,Co and Ni have greater influence on the HOMO and LUMO of pyrite than Se and Te.In addition,pyrite containing As,Co or Ni is easier to oxidize by oxygen than pyrite containing Se or Te,and pyrite containing Co or Ni has greater interaction with collector.These are in agreement with the observed pyrite practice.
基金Project(51374253)supported by the National Natural Science Foundation of China
文摘Effect of sulfur impurity on coke reactivity was investigated by simulating petroleum coke with low-impurity pitch coke and impurities doping. And its mechanism was discussed by X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectrometer (EDS). The results show that sulfur has strong catalysis on both air and CO2 reactivity of coke in the case of no other impurity interference. Its catalysis is probably realized by triggering organic sulfur→H2S→SO2→COS and elemental sulfur (Sx)→SO2 and organic sulfur→H2S→COS→Sx→C2S→COS reaction systems during coke?O2 and coke?CO2 reactions, respectively, which are partly circular with functions of increasing carbon consumption and enlarging coke specific surface area.
文摘We report herein the synthesis of impurity B of Flumazenil via demethylation, benzyl protection, cyclization and debenzylation from 7-methoxyl-3,4-dihydro-4-methyl-2H-1,4-benzo-diazepine-2,5（1H）-dione. The structure of impurity B of Flurnazenil was confirmed by 1n N/V[R, 13C NMR and HRMS, and the overall yield was 29.3%. The finding will be helpful for optimizing the synthetic process and quality control of Flumazenil.
基金financial support by Sichuan Science and Technology,China(No.2023YFG0070).
文摘Fuel cell electric vehicles hold great promise for a diverse range of applications in reducing greenhouse gas emissions.In power fuel cell systems,hydrogen fuel serves as an energy vector.To ensure its suitability,it is necessary for the quality of hydrogen to adhere to the standards set by ISO 14687:2019,which sets maximum limits for 14 impurities in hydrogen,aiming to prevent any degradation of fuel cell performance.Ammonia(NH_(3))is a prominent pollutant in fuel cells,and accurate measurements of its concentration are crucial for hydrogen fuel cell quantity.In this study,a novel detection platform was developed for determining NH_(3)in real hydrogen samples.The online analysis platform integrates a self-developed online dilution module with a Fourier transform infrared spectrometer(ODM-FTIR).The ODM-FTIR can be operated fully automatically with remote operation.Under the optimum conditions,this method achieved a wide linear range between(50∼1000)nmol/mol.The limit of detection(LOD)was as low as 2 nmol/mol with a relative standard deviation(RSD,n=7)of 3.6%at a content of 50 nmol/mol.To ensure that the quality of the hydrogen products meets the requirement of proton exchange membrane fuel cell vehicles(PEMFCV),the developed ODM-FTIR system was applied to monitor the NH_(3)content in Chengdu Hydrogen Energy Co.,Ltd.for 21 days during Chengdu 2021 FISU World University Games.The proposed method retains several unique advantages,including a low detection limit,excellent repeatability,high accuracy,high speed,good stability,and calibration flexibility.It is an effective analytical method for accurately quantifying NH_(3)in hydrogen,especially suitable for online analysis.It also provides a new idea for the analysis of other impurity components in hydrogen.
基金supported in part by the Six Talent Peaks Project in Jiangsu Province under Grant 013040315in part by the China Textile Industry Federation Science and Technology Guidance Project under Grant 2017107+1 种基金in part by the National Natural Science Foundation of China under Grant 31570714in part by the China Scholarship Council under Grant 202108320290。
文摘The cleanliness of seed cotton plays a critical role in the pre-treatment of cotton textiles,and the removal of impurity during the harvesting process directly determines the quality and market value of cotton textiles.By fusing band combination optimization with deep learning,this study aims to achieve more efficient and accurate detection of film impurities in seed cotton on the production line.By applying hyperspectral imaging and a one-dimensional deep learning algorithm,we detect and classify impurities in seed cotton after harvest.The main categories detected include pure cotton,conveyor belt,film covering seed cotton,and film adhered to the conveyor belt.The proposed method achieves an impurity detection rate of 99.698%.To further ensure the feasibility and practical application potential of this strategy,we compare our results against existing mainstream methods.In addition,the model shows excellent recognition performance on pseudo-color images of real samples.With a processing time of 11.764μs per pixel from experimental data,it shows a much improved speed requirement while maintaining the accuracy of real production lines.This strategy provides an accurate and efficient method for removing impurities during cotton processing.
基金financially supported by the Consulting Research Project of the Chinese Academy of Engineering,China(Nos.2024-XBZD-10 and 2024-XZ-20).
文摘The rapid growth of semiconductor,photovoltaic,and other emerging industries has led to a sharp increase in the demand for high-purity quartz in China,particularly 4N5-grade(99.995%pure SiO_(2)).However,heavy reliance on imported high-purity quartz poses a significant risk to the security of key national strategic industries.To address this challenge,China is focusing on identifying domestic sources of high-purity quartz and developing efficient evaluation methods.This study investigates the inclusion content in three types of quartz:pegmatite,vein quartz,and white granite.A grading system based on the transmittance of quartz grains was established by analyz-ing the number of inclusions.Five quartz ore samples from different regions were purified,and the resulting concentrates were analyzed using inductively coupled plasma mass spectrometry(ICP-MS).The relationships among the inclusion content of raw quartz,impurity composition of purified quartz,and quality of sintered fused quartz products were examined.The findings demonstrate that quartz with fewer inclusions results in lower impurity levels after purification,higher SiO_(2)purity,and more translucent glass,as confirmed by firing tests.Herein,this study establishes a clear connection between quartz inclusions and the overall quality of high-purity quartz.The pro-posed approach enables the rapid assessment of quartz deposit quality by identifying inclusions,offering a practical and efficient method for locating high-quality quartz resources.
基金supported by the Yunnan Province Nonferrous Metal Vacuum Metallurgy Top Team[No.202305AS350012]。
文摘Magnesium(Mg),as one of the most abundant elements in earth's crust,is the lightest structural metal with extensive applications across various industries.However,the performance of Mg-based products is highly dependent on their impurity levels,and the lack of high-purity Mg,along with efficient purification method,has posed significant challenge to its widespread industrial adoption.This study investigates the impurity behavior in Mg ingots during the vacuum gasification purification process.Through the analysis of binary phase diagrams,iron(Fe)-based foam material was selected for the filtration and purification of Mg vapor in a vacuum tube furnace.A novel approach combining vacuum gasification,vapor purification,and directional condensation is proposed.The effect of filter pore sizes and filtration temperatures on the efficacy of impurity removal was evaluated.Experimental results demonstrate that Fe-based foam with a pore size of 60 ppi,at a filtration temperature of 773 K,effectively removes impurities such as calcium(Ca),potassium(K),sodium(Na),manganese(Mn),silicon(Si),aluminum(Al),and various oxides,sulfides,and chlorides from the vapor phase.Consequently,high-purity Mg with a purity level exceeding 5N3 was obtained in the condensation zone.
