The close-coupled selective catalytic reduction(cc-SCR)catalyst is an effective technology to reduce tailpipe NOx emission during cold start.This paper investigated the optimal ammonia storage under steady and transie...The close-coupled selective catalytic reduction(cc-SCR)catalyst is an effective technology to reduce tailpipe NOx emission during cold start.This paper investigated the optimal ammonia storage under steady and transient state in the cc-SCR.The study showed that a trade-off between NOx conversion efficiency and ammonia slip is observed on the pareto solutions under steady state,and the optimal ammonia storage is calculated with ammonia slip less than 10μL/L based on the ChinaⅥemission legislation.The rapid temperature increase will lead to severe ammonia slip in the transient test cycle.A simplified 0-D calculation method on ammonia slip under transient state is proposed based on kinetic model of ammonia adsorption and desorption.In addition,the effect of ammonia storage,catalyst temperature and temperature increasing rate on ammonia slip are analyzed.The optimal ammonia storage is calculated with maximum ammonia slip less than 100μL/L according to the oxidation efficiency of ammonia slip catalyst(ASC)downstream cc-SCR.It was found that the optimal ammonia storage under transient state is much lower than that under steady state in cc-SCR at lower temperature,and a phase diagram is established to analyze the influence of temperature and temperature increasing rate on optimal ammonia storage.展开更多
We simulate the gas-atomization process of a close-coupled annular nozzle for vacuum induction gas atomization at a three-dimensional scale.Moreover,the relationship between the simulated droplet type and experimental...We simulate the gas-atomization process of a close-coupled annular nozzle for vacuum induction gas atomization at a three-dimensional scale.Moreover,the relationship between the simulated droplet type and experimentally metallic powder is established by comparing the morphology of droplets with powders.Herein,the primary atomization process is described by the volume-of-fluid(VOF)approach,whereas the prediction of powder diameter after secondary atomization is realized by the VOF-Lagrangian method.In addition,to completely reflect the breaking and deformation process of the metallic flow,we employ the VOF model to simulate the secondary atomization process of a single ellipsoidal droplet.The results show that the primary atomization process includes the formation of surface liquid film,appearance of serrated ligaments,and shredding of ligaments.Further,gas recirculation zone plays an important role in formation of the umbrella-shaped liquid film.The secondary atomization process is divided into droplet convergence and dispersion stages,and the predicted powder diameter is basically consistent with the experiment.In general,the four main powder shapes are formed by the interaction of five different typical droplets.展开更多
Fresh Pd/CeO/AlOclose coupled catalyst was prepared by the stepwise impregnation method and calcined at 550 °C for 3 h, which was then pretreated at 700, 800, and 900 °C for 3 h, respectively. Finally, these...Fresh Pd/CeO/AlOclose coupled catalyst was prepared by the stepwise impregnation method and calcined at 550 °C for 3 h, which was then pretreated at 700, 800, and 900 °C for 3 h, respectively. Finally, these pretreated catalysts were aged at 1000 °C for 3 h to study their anti-aging properties. The catalytic activities of the catalysts were investigated detailedly, and the results showed that the catalyst pretreated at 800 °C before aging treatment possessed the best anti-aging performance for CHoxidation. XRD and XPS results indicated that well-crystallized CeOparticles were formed during calcinations at 800 °C, which made CeOan effective promoter. HRTEM revealed that Pd particles found on the edge of CeOover the aged catalyst pretreated at 800 °C were relatively smaller than those over the catalysts without pretreatment. H-TPR and XPS results also implied that the interaction between well-crystallized CeOand Pd suppressed the deactivation of PdO sites and further enhanced the catalytic performance.展开更多
The emission regulations for heavy-duty diesel engines regarding nitrogen oxide(NO_(x))are becoming increasingly stringent,particularly in relation to cold start cycles.While the twostage selective catalytic reduction...The emission regulations for heavy-duty diesel engines regarding nitrogen oxide(NO_(x))are becoming increasingly stringent,particularly in relation to cold start cycles.While the twostage selective catalytic reduction(SCR)has the potential to achieve ultra-low NO_(x) emissions,several challenges remain,including the accurate prediction of ammonia(NH_(3))storage mass and the co-control of the two-stage SCR.The first step in this study involved the establishment of a rapid control prototype platform to facilitate the development and validation of a two-stage SCR control strategy.Secondly,an initial method for predicting the NH_(3) storage based on the mass conservation law was proposed,which was subsequently improved by filling and emptying experiments.The third step involved the development of a two-stage SCR co-control strategy,including obtaining the steady-state NH_(3) storage target value,dynamic correction for NH_(3) storage target value,regulation of NH_(3) storage,and control of the close-coupled SCR urea injector state.Finally,the two-stage SCR urea injection control strategy was certified under the world harmonized transient cycle(WHTC).The results demonstrate that the composite value of engine outlet NO_(x) emissions under cold and hot start WHTC cycles is 13 g/(kW·h).Meanwhile,the composite value of tailpipe NO_(x) emissions under cold and hot start WHTC cycles is 0.065 g/(kW·h),representing only 14%of the EU VI limit value of 0.46 g/(kW·h).Thus,the findings demonstrate that integrating an accurate NH_(3) storage prediction method with the two-stage SCR co-control function is crucial for heavy-duty diesel engines to achieve ultra-low NO_(x) emissions.展开更多
The so-called close-coupled gas atomization process involves melting a metal and using a high-pressure gas jet positioned close to the melt stream to rapidly break it into fine,spherical powder particles.This techniqu...The so-called close-coupled gas atomization process involves melting a metal and using a high-pressure gas jet positioned close to the melt stream to rapidly break it into fine,spherical powder particles.This technique,adapted for blast furnace slag granulation using a circular seam nozzle,typically aims to produce solid slag particles sized 30–140μm,thereby allowing the utilization of slag as a resource.This study explores the atomization dynamics of liquid blast furnace slag,focusing on the effects of atomization pressure.Primary atomization is simulated using a combination of the Volume of Fluid(VOF)method and the Shear Stress Transport k-ωturbulence model,while secondary atomization is analyzed through the Discrete Phase Model(DPM).The results reveal that primary atomization progresses in three stages:the slag column transforms into an umbrella-shaped liquid film,whose leading edge fragments into particles while forming a cavity-like structure,which is eventually torn into ligaments.This primary deformation is driven by the interplay of airflow velocity in the recirculation zone and the guide tube outlet pressure(Fp).Increasing the atomization pressure amplifies airflow velocity,recirculation zone size,expansion and shock waves,though the guide tube outlet pressure variations remain irregular.Notably,at 4.5 MPa,the primary deformation is most pronounced.Secondary atomization yields finer slag particles as a result of more vigorous primary atomization.For this pressure,the smallest average particle size and the highest yield of particles within the target range(30–140μm)are achieved.展开更多
The particularity and practicality of harmony operations of close-coupling multiple helicopters indicate that the researches on it are urgent and necessary, Using the model that describes two hovering helicopters carr...The particularity and practicality of harmony operations of close-coupling multiple helicopters indicate that the researches on it are urgent and necessary, Using the model that describes two hovering helicopters carrying one heavy load, an inertia coordinate system and body coordinate systems of each sub-system are established. A nonlinear force model is established too. The equilibrium computation results can be regarded as the reference control inputs of the flight control system under hovering or low-speed flight condition. After the establishment of a translation kinematics model and a posture kinematics model, a coupling dynamics model of the multiple helicopter system is set up. The results can also be regarded as the base to analyze stabilization and design a controller for a close-coupling multiple helicopters harmony operation system.展开更多
The semiclassical non-perturbative atomic orbital close-coupling approach has been employed to study the electron capture and excitation processes in He^(2+)-H(1s)and He^(2+)-H(2s)collision systems.In order to ensure ...The semiclassical non-perturbative atomic orbital close-coupling approach has been employed to study the electron capture and excitation processes in He^(2+)-H(1s)and He^(2+)-H(2s)collision systems.In order to ensure the accuracy of our calculated cross sections,a large number of high excited states and pseudostates are included in the expansion basis sets which are centered on the target and projectile,respectively.The total and partial charge transfer and excitation cross sections are obtained for a wide-energy domain ranging from 1 keV/amu to 200 keV/amu.The present calculations are also compared with the results from other theoretical methods.These cross section data are useful for the investigation of astrophysics and laboratory plasma.展开更多
A new anisotropic potential is fitted to ab initio data. The close-coupling approach is utilized to calculate state-tostate rotational excitation partial wave cross sections for elastic and inelastic collisions of He ...A new anisotropic potential is fitted to ab initio data. The close-coupling approach is utilized to calculate state-tostate rotational excitation partial wave cross sections for elastic and inelastic collisions of He atom with HBr molecule based on the fitted potential. The calculation is performed separately at the incident energies： 75, 100 and 200 meV.The tendency of the elastic and inelastic rotational excitation partial wave cross sections varying with total angular quantum number J is obtained.展开更多
In this paper, close-coupling method was applied to the He-H2 （D2,T2） system, and the first vibrational excitation cross sections of ＇00-10, 00-12, 00-14, 00-16＇ at different incident energy have been calculated. ...In this paper, close-coupling method was applied to the He-H2 （D2,T2） system, and the first vibrational excitation cross sections of ＇00-10, 00-12, 00-14, 00-16＇ at different incident energy have been calculated. By analyzing the ditferences of these partial wave cross sections, this paper have obtained the change rules of the partial wave cross sections with increases of quantum number, and with change of reduced mass of system. Based on the calculation, influence on the partial wave cross sections brought by the variations in the reduced mass of systems and in the relative kinetic energy of incident atoms is discussed.展开更多
The coupled-channel optical method is used to study positron scattering by atomic lithium at energies ranging from the ionization threshold to 60eV, The present method simultaneously treats the target channels and the...The coupled-channel optical method is used to study positron scattering by atomic lithium at energies ranging from the ionization threshold to 60eV, The present method simultaneously treats the target channels and the positronium （Ps） channels in the coupled-channel method together with the continuum effects via an ab-initio optical potential. Ionization, elastic and inelastic cross sections in target channels, and the total cross section are also reported and compared with other theoretical and experimental data. A comparative study with the corresponding electron-lithium data is also reported.展开更多
The electron capture in N^(5+)-H collisions imbedded in a Debye plasma is studied by using the two-center atomic orbital close-coupling method in the energy range from 1 keV/u to 200 keV/u.The atomic orbitals and elec...The electron capture in N^(5+)-H collisions imbedded in a Debye plasma is studied by using the two-center atomic orbital close-coupling method in the energy range from 1 keV/u to 200 keV/u.The atomic orbitals and electron binding energies of atomic states are calculated within the Debye-Huckel approximation of the screened Coulomb potential and used in atomic orbital close-coupling dynamics formalism to calculate the electron capture cross sections.The electron capture cross sections and the charge transfer spectral lines of N^(4+)(1s^(2)nl)for a number of representative screening parameter values are presented and discussed.It is found that the screening of Coulomb interactions affects the entire collision dynamics and the magnitude and energy behavior of state-selective cross sections.The changes in electron binding energies and capture cross sections when the interaction screening varies introduce dramatic changes in the radiation spectrum of N^(4+)(1s^(2)nl)capture states with respect to the unscreened interaction case.展开更多
An interaction potential of the Ne-HC1 van der Waals complex is obtained by utilizing the Huxley analytic potential function to fit the accurate interaction energy data, which have been computed at the coupled cluster...An interaction potential of the Ne-HC1 van der Waals complex is obtained by utilizing the Huxley analytic potential function to fit the accurate interaction energy data, which have been computed at the coupled cluster singles and doubles including connected triple excitations level and with the augmented correlation consistent polarized valence quintuple zeta basis set extended with a set of 3s3p2dlflg mid-bond functions [CCSD （T）/aug-cc-pV5Z-33211]. The close coupling calculation of state-to-state partial cross sections for collision of Ne with HC1 is first performed by employing the fitted interaction potential. This calculation is performed at the incident energies： 40, 60, 75 and 100 meV, separately. The effects of the long-range attractive and the short-range anisotropic interactions on the inelastic state-to-state partial cross sections are discussed in detail. Two maxima are present in the rotationally inelastic partial cross sections and they originate from different mechanisms.展开更多
We used the close-coupling optical （CCO） approach to investigate the open-shell carbon atom. The elastic cross sections have been presented at the energies below 90eV, and the present CCO results have been compared ...We used the close-coupling optical （CCO） approach to investigate the open-shell carbon atom. The elastic cross sections have been presented at the energies below 90eV, and the present CCO results have been compared with other theoretical results. We found that polarization and the continuum states have significant contributions to the elastic cross sections. The present calculations show that the CCO method is capable of calculating electron scattering from open-shell atoms.展开更多
Close-coupling equation and anisotropic potential developed in our previous research are applied to HE-SHe （4He, 6He, 8He,10He） collision system, and partial cross sections （PCSs） at the incident energy of 40 me V...Close-coupling equation and anisotropic potential developed in our previous research are applied to HE-SHe （4He, 6He, 8He,10He） collision system, and partial cross sections （PCSs） at the incident energy of 40 me V are calculated. By analyzing the differences of these PCSs, change rules of PCSs with the increase of partial wave number, and with the change of the mass of isotope substitution helium atom are obtained. The results show that excitation PCSs converge faster than elastic PCSs for collision energy and each of systems considered here. Also excitation PCSs converge more rapidly for high-excited states. Tail effect is present only in elastic scattering and low-excited states but not in high- excited states. With the increase of the mass of isotope substitution helium atom, converging speed of elastic, total inelastic, and state-to-state excitation PCS slows down, and the maxima of these PCSs undergoes a regular change.展开更多
This paper uses the two-centre atomic orbital close-coupling method to study the ionization and the single electron capture in collision of highly charged Ar^16＋ ions with He atoms in the velocity range of 1.2-1.9 a....This paper uses the two-centre atomic orbital close-coupling method to study the ionization and the single electron capture in collision of highly charged Ar^16＋ ions with He atoms in the velocity range of 1.2-1.9 a.u.. The relative importance of single ionization （SI） to single capture （SC） is explored. The comparison between the calculation and experimental data shows that the SI/SC cross section ratios from this work are in good agreement with experimental data. The total single electron ionization cross sections and the total single electron capture cross sections are also given for this collision. The investigation of the partial electron capture cross section shows a general tendency of capture to larger n and l with increasing velocity from 1.2 to 1.9 a.u..展开更多
Close-coupling calculations are carried out for cross sections of the single electron capture in collisions of N^q＋（q = 5, 6, 7） ions with helium atoms in the collision velocity range from 0.3 a.u. to 1.8 a.u. The ...Close-coupling calculations are carried out for cross sections of the single electron capture in collisions of N^q＋（q = 5, 6, 7） ions with helium atoms in the collision velocity range from 0.3 a.u. to 1.8 a.u. The relative importances of the single ionization （SI） to the single capture （SC） are investigated for the N^q＋ （q= 5, 6, 7） projectiles, respectively. The SI/SC cross section ratio for the N7＋ projectile obtained from our calculations is in excellent agreement with the experimental data. The ratio curves also show us distinct behaviours when the charge of the projectile is different. The partial electron capture cross sections for different projectiles indicate that the electron on the target He atom tends to be captured by the projectile into its lower orbital of the outer shell with the decreasing projectile charge.展开更多
The electron excitation processes of H(1s)+He(1s^(2))→H(2s/2p)+He(1s^(2))are studied in impact energy range of 20-2000 e V/u by using the quantum-mechanical molecular orbital close-coupling(QMOCC)method.Total and sta...The electron excitation processes of H(1s)+He(1s^(2))→H(2s/2p)+He(1s^(2))are studied in impact energy range of 20-2000 e V/u by using the quantum-mechanical molecular orbital close-coupling(QMOCC)method.Total and state-selective cross sections have been obtained and compared with the available theoretical and experimental results.The results agree well with available measurements in the overlapping energy regions overall.The comparison of our results with other theoretical calculations further demonstrates the importance of considering a sufficient number of channels.The datasets presented in this paper,including the excitation cross sections,are openly available at https://www.doi.org/10.57760/sciencedb.j00113.00083.展开更多
基金supported by the National Natural Science Foundation of China(No.51976100)the co-founding of FAW Jiefang Automobile Co.,Ltd.Wuxi Diesel Engine Factory,Saudi Aramco Technologies CompanyShandong Chambroad Petrochemicals Co.,Ltd.with the project“Fuel and Engine Co-optimization for high Efficiency and Net-Zero Emission Heavy-duty Engine”。
文摘The close-coupled selective catalytic reduction(cc-SCR)catalyst is an effective technology to reduce tailpipe NOx emission during cold start.This paper investigated the optimal ammonia storage under steady and transient state in the cc-SCR.The study showed that a trade-off between NOx conversion efficiency and ammonia slip is observed on the pareto solutions under steady state,and the optimal ammonia storage is calculated with ammonia slip less than 10μL/L based on the ChinaⅥemission legislation.The rapid temperature increase will lead to severe ammonia slip in the transient test cycle.A simplified 0-D calculation method on ammonia slip under transient state is proposed based on kinetic model of ammonia adsorption and desorption.In addition,the effect of ammonia storage,catalyst temperature and temperature increasing rate on ammonia slip are analyzed.The optimal ammonia storage is calculated with maximum ammonia slip less than 100μL/L according to the oxidation efficiency of ammonia slip catalyst(ASC)downstream cc-SCR.It was found that the optimal ammonia storage under transient state is much lower than that under steady state in cc-SCR at lower temperature,and a phase diagram is established to analyze the influence of temperature and temperature increasing rate on optimal ammonia storage.
基金Project supported by the National Natural Science Foundation of China(Grant No.51975240)the Open Fund of State Key Laboratory of Advanced Forming Technology and Equipment(Grant No.SKL2019006)。
文摘We simulate the gas-atomization process of a close-coupled annular nozzle for vacuum induction gas atomization at a three-dimensional scale.Moreover,the relationship between the simulated droplet type and experimentally metallic powder is established by comparing the morphology of droplets with powders.Herein,the primary atomization process is described by the volume-of-fluid(VOF)approach,whereas the prediction of powder diameter after secondary atomization is realized by the VOF-Lagrangian method.In addition,to completely reflect the breaking and deformation process of the metallic flow,we employ the VOF model to simulate the secondary atomization process of a single ellipsoidal droplet.The results show that the primary atomization process includes the formation of surface liquid film,appearance of serrated ligaments,and shredding of ligaments.Further,gas recirculation zone plays an important role in formation of the umbrella-shaped liquid film.The secondary atomization process is divided into droplet convergence and dispersion stages,and the predicted powder diameter is basically consistent with the experiment.In general,the four main powder shapes are formed by the interaction of five different typical droplets.
基金Project supported by the National Natural Science Foundation of China(21173153)the National Hi-tech Research Development Program of China(863 Program,2013AA065304)the Sichuan Science and Technology Agency Supported Project(2012FZ0008)
文摘Fresh Pd/CeO/AlOclose coupled catalyst was prepared by the stepwise impregnation method and calcined at 550 °C for 3 h, which was then pretreated at 700, 800, and 900 °C for 3 h, respectively. Finally, these pretreated catalysts were aged at 1000 °C for 3 h to study their anti-aging properties. The catalytic activities of the catalysts were investigated detailedly, and the results showed that the catalyst pretreated at 800 °C before aging treatment possessed the best anti-aging performance for CHoxidation. XRD and XPS results indicated that well-crystallized CeOparticles were formed during calcinations at 800 °C, which made CeOan effective promoter. HRTEM revealed that Pd particles found on the edge of CeOover the aged catalyst pretreated at 800 °C were relatively smaller than those over the catalysts without pretreatment. H-TPR and XPS results also implied that the interaction between well-crystallized CeOand Pd suppressed the deactivation of PdO sites and further enhanced the catalytic performance.
基金supported by the National Natural Science Foundation of China(No.51921004).
文摘The emission regulations for heavy-duty diesel engines regarding nitrogen oxide(NO_(x))are becoming increasingly stringent,particularly in relation to cold start cycles.While the twostage selective catalytic reduction(SCR)has the potential to achieve ultra-low NO_(x) emissions,several challenges remain,including the accurate prediction of ammonia(NH_(3))storage mass and the co-control of the two-stage SCR.The first step in this study involved the establishment of a rapid control prototype platform to facilitate the development and validation of a two-stage SCR control strategy.Secondly,an initial method for predicting the NH_(3) storage based on the mass conservation law was proposed,which was subsequently improved by filling and emptying experiments.The third step involved the development of a two-stage SCR co-control strategy,including obtaining the steady-state NH_(3) storage target value,dynamic correction for NH_(3) storage target value,regulation of NH_(3) storage,and control of the close-coupled SCR urea injector state.Finally,the two-stage SCR urea injection control strategy was certified under the world harmonized transient cycle(WHTC).The results demonstrate that the composite value of engine outlet NO_(x) emissions under cold and hot start WHTC cycles is 13 g/(kW·h).Meanwhile,the composite value of tailpipe NO_(x) emissions under cold and hot start WHTC cycles is 0.065 g/(kW·h),representing only 14%of the EU VI limit value of 0.46 g/(kW·h).Thus,the findings demonstrate that integrating an accurate NH_(3) storage prediction method with the two-stage SCR co-control function is crucial for heavy-duty diesel engines to achieve ultra-low NO_(x) emissions.
基金the Tangshan University Doctor Innovation Fund(Project Number:1402306).
文摘The so-called close-coupled gas atomization process involves melting a metal and using a high-pressure gas jet positioned close to the melt stream to rapidly break it into fine,spherical powder particles.This technique,adapted for blast furnace slag granulation using a circular seam nozzle,typically aims to produce solid slag particles sized 30–140μm,thereby allowing the utilization of slag as a resource.This study explores the atomization dynamics of liquid blast furnace slag,focusing on the effects of atomization pressure.Primary atomization is simulated using a combination of the Volume of Fluid(VOF)method and the Shear Stress Transport k-ωturbulence model,while secondary atomization is analyzed through the Discrete Phase Model(DPM).The results reveal that primary atomization progresses in three stages:the slag column transforms into an umbrella-shaped liquid film,whose leading edge fragments into particles while forming a cavity-like structure,which is eventually torn into ligaments.This primary deformation is driven by the interplay of airflow velocity in the recirculation zone and the guide tube outlet pressure(Fp).Increasing the atomization pressure amplifies airflow velocity,recirculation zone size,expansion and shock waves,though the guide tube outlet pressure variations remain irregular.Notably,at 4.5 MPa,the primary deformation is most pronounced.Secondary atomization yields finer slag particles as a result of more vigorous primary atomization.For this pressure,the smallest average particle size and the highest yield of particles within the target range(30–140μm)are achieved.
基金National Natural Science Foundation of China(60475039)
文摘The particularity and practicality of harmony operations of close-coupling multiple helicopters indicate that the researches on it are urgent and necessary, Using the model that describes two hovering helicopters carrying one heavy load, an inertia coordinate system and body coordinate systems of each sub-system are established. A nonlinear force model is established too. The equilibrium computation results can be regarded as the reference control inputs of the flight control system under hovering or low-speed flight condition. After the establishment of a translation kinematics model and a posture kinematics model, a coupling dynamics model of the multiple helicopter system is set up. The results can also be regarded as the base to analyze stabilization and design a controller for a close-coupling multiple helicopters harmony operation system.
基金supported by the National Key Research and Development Program of China (Grant No.2022YFA 1602500)the National Natural Science Foundation of China (Grant Nos.11934004 and 12241410).
文摘The semiclassical non-perturbative atomic orbital close-coupling approach has been employed to study the electron capture and excitation processes in He^(2+)-H(1s)and He^(2+)-H(2s)collision systems.In order to ensure the accuracy of our calculated cross sections,a large number of high excited states and pseudostates are included in the expansion basis sets which are centered on the target and projectile,respectively.The total and partial charge transfer and excitation cross sections are obtained for a wide-energy domain ranging from 1 keV/amu to 200 keV/amu.The present calculations are also compared with the results from other theoretical methods.These cross section data are useful for the investigation of astrophysics and laboratory plasma.
基金Project supported by the National Natural Science Foundation of China （Grant Nos 10574096,10676025） and the Natural Science Foundation of Education Bureau of Anhui Province, China.
文摘A new anisotropic potential is fitted to ab initio data. The close-coupling approach is utilized to calculate state-tostate rotational excitation partial wave cross sections for elastic and inelastic collisions of He atom with HBr molecule based on the fitted potential. The calculation is performed separately at the incident energies： 75, 100 and 200 meV.The tendency of the elastic and inelastic rotational excitation partial wave cross sections varying with total angular quantum number J is obtained.
基金Project supported by the National Natural Science Foundation of China （Grant No 10574096）, the Specialized Research Fund for the Doctoral Program of Higher Education of China （Grant No 20020610001）, the Natural Science Foundation of Education Bureau of Guizhou Province, China （Grant No QJK 2005105） and Scientific Research Foundation of Young Teacher of Guizhou Normal University, China.
文摘In this paper, close-coupling method was applied to the He-H2 （D2,T2） system, and the first vibrational excitation cross sections of ＇00-10, 00-12, 00-14, 00-16＇ at different incident energy have been calculated. By analyzing the ditferences of these partial wave cross sections, this paper have obtained the change rules of the partial wave cross sections with increases of quantum number, and with change of reduced mass of system. Based on the calculation, influence on the partial wave cross sections brought by the variations in the reduced mass of systems and in the relative kinetic energy of incident atoms is discussed.
基金Support by the Malaysian Ministry of Science, Technology and Environment （M0STE） under the IRPA Project No 09-02-03- 1009, and the National Science Foundation （NSF） under Grant No KSTAS.S190.080 from M0STE.
文摘The coupled-channel optical method is used to study positron scattering by atomic lithium at energies ranging from the ionization threshold to 60eV, The present method simultaneously treats the target channels and the positronium （Ps） channels in the coupled-channel method together with the continuum effects via an ab-initio optical potential. Ionization, elastic and inelastic cross sections in target channels, and the total cross section are also reported and compared with other theoretical and experimental data. A comparative study with the corresponding electron-lithium data is also reported.
基金supported by the National Basic Research Program of China(Grant No.2013CB922200)by the National Natural Science Foundation of China(Grant Nos.11204017,11474033 and 11474032)by the foundation for the development of Science and Technology of China Academy of Engineering Physics(Grant No.2013A0102005).
文摘The electron capture in N^(5+)-H collisions imbedded in a Debye plasma is studied by using the two-center atomic orbital close-coupling method in the energy range from 1 keV/u to 200 keV/u.The atomic orbitals and electron binding energies of atomic states are calculated within the Debye-Huckel approximation of the screened Coulomb potential and used in atomic orbital close-coupling dynamics formalism to calculate the electron capture cross sections.The electron capture cross sections and the charge transfer spectral lines of N^(4+)(1s^(2)nl)for a number of representative screening parameter values are presented and discussed.It is found that the screening of Coulomb interactions affects the entire collision dynamics and the magnitude and energy behavior of state-selective cross sections.The changes in electron binding energies and capture cross sections when the interaction screening varies introduce dramatic changes in the radiation spectrum of N^(4+)(1s^(2)nl)capture states with respect to the unscreened interaction case.
基金Project supported by the National Natural Science Foundation of China （Grant Nos 10676025 and 10574096）, the Discipline Foundation of Anqing Teachers College of China （Grant No 044-k06016000007） and the Anhui Provincial Natural Science Foundation of China （Grant No 20050610010）.
文摘An interaction potential of the Ne-HC1 van der Waals complex is obtained by utilizing the Huxley analytic potential function to fit the accurate interaction energy data, which have been computed at the coupled cluster singles and doubles including connected triple excitations level and with the augmented correlation consistent polarized valence quintuple zeta basis set extended with a set of 3s3p2dlflg mid-bond functions [CCSD （T）/aug-cc-pV5Z-33211]. The close coupling calculation of state-to-state partial cross sections for collision of Ne with HC1 is first performed by employing the fitted interaction potential. This calculation is performed at the incident energies： 40, 60, 75 and 100 meV, separately. The effects of the long-range attractive and the short-range anisotropic interactions on the inelastic state-to-state partial cross sections are discussed in detail. Two maxima are present in the rotationally inelastic partial cross sections and they originate from different mechanisms.
基金Project supported by the National Natural Science Foundation of China （Grant No 10274724）.
文摘We used the close-coupling optical （CCO） approach to investigate the open-shell carbon atom. The elastic cross sections have been presented at the energies below 90eV, and the present CCO results have been compared with other theoretical results. We found that polarization and the continuum states have significant contributions to the elastic cross sections. The present calculations show that the CCO method is capable of calculating electron scattering from open-shell atoms.
基金Supported by the National Natural Science Foundation of China under Grant Nos.10676025 and 10974139
文摘Close-coupling equation and anisotropic potential developed in our previous research are applied to HE-SHe （4He, 6He, 8He,10He） collision system, and partial cross sections （PCSs） at the incident energy of 40 me V are calculated. By analyzing the differences of these PCSs, change rules of PCSs with the increase of partial wave number, and with the change of the mass of isotope substitution helium atom are obtained. The results show that excitation PCSs converge faster than elastic PCSs for collision energy and each of systems considered here. Also excitation PCSs converge more rapidly for high-excited states. Tail effect is present only in elastic scattering and low-excited states but not in high- excited states. With the increase of the mass of isotope substitution helium atom, converging speed of elastic, total inelastic, and state-to-state excitation PCS slows down, and the maxima of these PCSs undergoes a regular change.
基金Project supported by the Excellent young scholars Research Fund of Beijing Institute of Technology,China (Grant No 000Y07-29)the National Natural Science Foundation of China (Grant NO 10674015)
文摘This paper uses the two-centre atomic orbital close-coupling method to study the ionization and the single electron capture in collision of highly charged Ar^16＋ ions with He atoms in the velocity range of 1.2-1.9 a.u.. The relative importance of single ionization （SI） to single capture （SC） is explored. The comparison between the calculation and experimental data shows that the SI/SC cross section ratios from this work are in good agreement with experimental data. The total single electron ionization cross sections and the total single electron capture cross sections are also given for this collision. The investigation of the partial electron capture cross section shows a general tendency of capture to larger n and l with increasing velocity from 1.2 to 1.9 a.u..
基金supported by the National Natural Science Foundation of China(Grant No.10804008)
文摘Close-coupling calculations are carried out for cross sections of the single electron capture in collisions of N^q＋（q = 5, 6, 7） ions with helium atoms in the collision velocity range from 0.3 a.u. to 1.8 a.u. The relative importances of the single ionization （SI） to the single capture （SC） are investigated for the N^q＋ （q= 5, 6, 7） projectiles, respectively. The SI/SC cross section ratio for the N7＋ projectile obtained from our calculations is in excellent agreement with the experimental data. The ratio curves also show us distinct behaviours when the charge of the projectile is different. The partial electron capture cross sections for different projectiles indicate that the electron on the target He atom tends to be captured by the projectile into its lower orbital of the outer shell with the decreasing projectile charge.
基金supported by the National Natural Science Foundation of China(Grant Nos.12204288,11934004,and 12274040)
文摘The electron excitation processes of H(1s)+He(1s^(2))→H(2s/2p)+He(1s^(2))are studied in impact energy range of 20-2000 e V/u by using the quantum-mechanical molecular orbital close-coupling(QMOCC)method.Total and state-selective cross sections have been obtained and compared with the available theoretical and experimental results.The results agree well with available measurements in the overlapping energy regions overall.The comparison of our results with other theoretical calculations further demonstrates the importance of considering a sufficient number of channels.The datasets presented in this paper,including the excitation cross sections,are openly available at https://www.doi.org/10.57760/sciencedb.j00113.00083.
