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ACCELERATOR-BASED ATOMIC PHYSICS AT THE LAWRENCE BERKELEY LABORATOTY:COLLISIONS OF FAST,HIGHLY-CHARGED IONS WITH ATOMS
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作者 AlfredS.Schlachter 《Nuclear Science and Techniques》 SCIE CAS CSCD 1990年第Z1期32-39,共8页
Research on accelerator-based atomic physics at the Lawrence Berkeley Laboratory super-HILAC and Bevalac accelerators is described. This research covers several important topics in collisions of fast, highly charged i... Research on accelerator-based atomic physics at the Lawrence Berkeley Laboratory super-HILAC and Bevalac accelerators is described. This research covers several important topics in collisions of fast, highly charged ions with atoms: charge transfer, ionization, and excitation. Multiple - electron processes are emphasized. Electron correlation is important in some of these processes, e.g., resonance transfer and excitation (RTE) multiple-electron capture in close collisions. A variety of experiments and results for energies from 1 to 420 MeV/u are presented. 展开更多
关键词 accelerator atomic physics collisions of ions with atoms
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Experimental study of cross-section ratios in the collisions of C^(q+) and O^(q+) (q=1-4) on atomic helium in strong-interaction region 被引量:1
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作者 陈熙萌 江丽娟 +12 位作者 周鹏 周春林 高志民 邱玺玉 崔莹 王兴安 娄凤君 吕学阳 贾娟娟 陈林 邵剑雄 吕瑛 王幡 《Chinese Physics B》 SCIE EI CAS CSCD 2011年第1期322-327,共6页
We have measured the cross-section ratios of helium induced by Cq+ and Oq+ (q = 1-4) in an energy range from 20 keV/amu to 500 keV/amu, and obtained the two-dimensional spectra by employing the coincidence method ... We have measured the cross-section ratios of helium induced by Cq+ and Oq+ (q = 1-4) in an energy range from 20 keV/amu to 500 keV/amu, and obtained the two-dimensional spectra by employing the coincidence method combined with the MPA-3 data acquisition system. Hence, we obtain the ratios of total single-ionization cross-sections (SI, SC, SLSI, and DLSI), total double-ionization cross-sections (DI, DC, TI, SLDI, and DLDI) and cross-sections of every process (SI, SC, SLSI, DLSI, DI, DC, TI, SLDI, and DLDI), which induce the single-ionization and double-ionization, to the total cross sections respectively. The competitive relations between the reaction-channels and the experimental data law of each reaction-channel are revealed explicitly, and the qualitative explanations involved in those results are also presented accordingly. 展开更多
关键词 ion-atom collisions strong-interaction region cross-section ratios competitive relation
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Single-and-double electron loss of O^(2+) in collisions with argon and helium
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作者 刘玉文 陈熙萌 +8 位作者 鲁彦霞 丁宝卫 付宏斌 高志民 崔莹 邵剑雄 孙光智 陈林 尹永智 《Chinese Physics B》 SCIE EI CAS CSCD 2008年第7期2590-2593,共4页
This paper reports that the ratios of double to single electron loss cross-section (R) of O^2+ in collision with Ar and He at the velocity of 1 -4 vo(vo is the Bohr velocity) have been obtained by the coincidence... This paper reports that the ratios of double to single electron loss cross-section (R) of O^2+ in collision with Ar and He at the velocity of 1 -4 vo(vo is the Bohr velocity) have been obtained by the coincidence technique. The trend of R - V in the experiment indicates that the effective charge varies with injected velocity. The effective charge can be obtained by the n-body classical trajectory Monte Carlo method, which is interpreted by the molecular Coulomb over barrier model. 展开更多
关键词 ion atom collision CROSS-SECTION electron-loss effective charge
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Ab Initio Study of Single-and Double-Electron Capture Processes in Collisions of He^(2+) Ions and Ne Atoms
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作者 王小霞 王堃 +6 位作者 彭裔耕 刘春华 刘玲 吴勇 Heinz-Peter Liebermann Robert JBuenker 屈一至 《Chinese Physics Letters》 SCIE CAS CSCD 2021年第11期30-36,共7页
The single-and double-electron capture(SEC, DEC) processes of He^(2+) ions colliding with Ne atoms are studied by utilizing the full quantum-mechanical molecular-orbital close-coupling method. Total and state-selectiv... The single-and double-electron capture(SEC, DEC) processes of He^(2+) ions colliding with Ne atoms are studied by utilizing the full quantum-mechanical molecular-orbital close-coupling method. Total and state-selective SEC and DEC cross sections are presented in the energy region of 2 eV/u to 20 keV/u. Results show that the dominant reaction channel is Ne^(+)(2s2p^(6) ^(2)S) + He^(+)(1s) in the considered energy region due to strong couplings with the initial state Ne(2s^(2)2p^(6)^(1)S) + He^(2+) around the internuclear distance of 4.6 a.u. In our calculations, the SEC cross sections decrease initially and then increase whereby, the minimum point is around 0.38 keV/u with the increase of collision energies. After considering the effects of the electron translation factor(ETF), the SEC cross sections are increased by 15%–25% nearby the energy region of keV/u and agree better with the available results. The DEC cross sections are smaller than those of SEC because of the larger energy gaps and no strong couplings with the initial state. Due to the Demkov-type couplings between DEC channel Ne^(2+)(2s^(2)2p^(4)^(1)S) + He(1s^(2)) and the dominating SEC channel Ne^(+)(2s2p^(6) ^(2)S) + He^(+)(1s), the DEC cross sections increase with increasing impact energies. Good consistency can also be found between the present DEC and the experimental measurements in the overlapping energy region. 展开更多
关键词 SEC DEC Ab Initio Study of Single-and Double-Electron Capture Processes in collisions of He ions and Ne atoms
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Cross sections of O^(q+)(q=1-4) electron loss in collisions with He,Ne and Ar
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作者 鲁彦霞 路兴强 +1 位作者 宋想 张泊丽 《Chinese Physics B》 SCIE EI CAS CSCD 2011年第3期198-202,共5页
Electron-loss cross sections of 0q+ (q = 1 -4) colliding with He, Ne and Ar atoms are measured in the intermediate velocity regime. The ratios of the cross sections of two-electron loss to that of one-electron loss... Electron-loss cross sections of 0q+ (q = 1 -4) colliding with He, Ne and Ar atoms are measured in the intermediate velocity regime. The ratios of the cross sections of two-electron loss to that of one-electron loss R21 are presented. It is shown that single-channel analysis is not sufficient to explain the results, but that projectile electron loss, electron capture by the projectile and target ionization must be considered together to interpret the experimental data. The screening and antiscreening effects can account for the threshold velocity results, but cannot explain the dependence of the ratio R21 on velocity quantitatively. In general, the effective charge of the target atom increases with velocity increasing because the high-speed projectile ion can penetrate into the inner electronic shell of target atom. Ne and Ar atoms have similar effective charges in this velocity regime, but He atoms have smaller ones at the same velocities due to its smaller nuclear charge. 展开更多
关键词 ion-atom collision cross section electron loss
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Investigation of transfer ionization in collisions of partially stripped carbon ions with helium at low to intermediate velocities
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作者 陈熙萌 高志民 +9 位作者 刘兆远 丁宝卫 鲁彦霞 付宏斌 邵剑雄 崔莹 张红强 刘玉文 杜娟 孙光智 《Chinese Physics B》 SCIE EI CAS CSCD 2007年第7期2040-2043,共4页
The ratios of transfer ionization (TI) to single-electron capture (SC) cross sections have been measured for the collisions of partially stripped C^q+ ions (q = 1-4) with He. The collision velocity ranges from ... The ratios of transfer ionization (TI) to single-electron capture (SC) cross sections have been measured for the collisions of partially stripped C^q+ ions (q = 1-4) with He. The collision velocity ranges from 0.7 to 4.4 vo (vo is the Bohr velocity). The projectile-ion and recoil-ion coincidence technique is used to separate the processes of TI and SC. The ratios reach the maximum when the velocity is about 3.7 vo. This can be explained qualitatively based on the two-step mechanism. The experimental results are also compared with the results calculated using the classical trajectory Monte Carlo (CTMC) method. The CTMC results are in agreement with the experimental data basically. The discrepancies in higher velocity region are interpreted by the effective charge effect. 展开更多
关键词 ion-atom collision transfer ionization electron capture cross-section ratios
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Projectile electron loss in collisions of light charged ions with helium
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作者 尹永智 王赟 陈熙萌 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第5期244-248,共5页
We investigate the single-electron loss processes of light charged ions (Li^1+,2+, C^2+,3+,5+, and O^2+,3+) in collisions with helium. To better understand the experimental results, we propose a theoretical m... We investigate the single-electron loss processes of light charged ions (Li^1+,2+, C^2+,3+,5+, and O^2+,3+) in collisions with helium. To better understand the experimental results, we propose a theoretical model to calculate the cross section of projectile electron loss. In this model, an ionization radius of the incident ion was defined under the classical over-barrier model, and we developed "strings" to explain the processes of projectile electron loss, which is similar with the molecular over-barrier model. Theoretical calculations are in good agreement with the experimental results for the cross section of single-electron loss and the ratio of double-to-single ionization of helium associated with one-electron loss. 展开更多
关键词 ion-atom collision over-barrier model electron loss
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Comparison of Simulation Methods of Ion-Atomic Collisions in PIC-MC
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作者 Valeriy Sysun Alexander Sysun +2 位作者 Vladimir Ignakhin Viktor Titov Alexander Tikhomirov 《Journal of Applied Mathematics and Physics》 2014年第13期1233-1241,共9页
The main ion-atomic collision treatment methods based on Monte-Carlo simulation are considered and discussed. We have proposed an efficient scheme for simulation of time between collisions taking into account cross-se... The main ion-atomic collision treatment methods based on Monte-Carlo simulation are considered and discussed. We have proposed an efficient scheme for simulation of time between collisions taking into account cross-section dependence on ion velocity and random generation of ion velocities and scattering angles after collisions. The developed algorithm of simulation of interval between collisions takes into account the change of relative velocity of ion-atom pair as well as the change of cross-section of collision and atomic concentration. At the same time, unlike the widely used “null-collision” method, both the probability of collision and change of particles’ state which determines this probability are taken into consideration for each particle independently in time. The simulation results according to the techniques proposed are found to be close to the theoretical values of ion drift velocities. It is revealed that the “null-collision” method results in exceeding of drift velocity in strong and intermediate fields. At the same time the proposed method of accumulation of probability under the same conditions gives values close to theoretical ones. In weak fields calculated values of drift velocity in both methods exceed theoretical values to some small extent. 展开更多
关键词 PIC-MC Simulation Ion-atomic collisions DISCHARGE Plasma
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Atomic structure and collision dynamics with highly charged ions 被引量:1
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作者 马新文 张少锋 +11 位作者 汶伟强 黄忠魁 胡智民 郭大龙 高俊文 Bennaceur Najjari 许慎跃 闫顺成 姚科 张瑞田 高永 朱小龙 《Chinese Physics B》 SCIE EI CAS CSCD 2022年第9期13-40,共28页
The research progresses on the investigations of atomic structure and collision dynamics with highly charged ions based on the heavy ion storage rings and electron ion beam traps in recent 20 years are reviewed.The st... The research progresses on the investigations of atomic structure and collision dynamics with highly charged ions based on the heavy ion storage rings and electron ion beam traps in recent 20 years are reviewed.The structure part covers test of quantum electrodynamics and electron correlation in strong Coulomb field studied through dielectronic recombi-nation spectroscopy and VUV/x-ray spectroscopy.The collision dynamics part includes charge exchange dynamics in ion-atom collisions mainly in Bohr velocity region,ion-induced fragmentation mechanisms of molecules,hydrogen-bound and van de Waals bound clusters,interference,and phase information observed in ion-atom/molecule collisions.With this achievements,two aspects of theoretical studies related to low energy and relativistic energy collisions are presented.The applications of data relevant to key atomic processes like dielectronic recombination and charge exchanges involving highly charged ions are discussed.At the end of this review,some future prospects of research related to highly charged ions are proposed. 展开更多
关键词 highly charged ion atomic structure collision dynamics quantum electrodynamics fragmentation mechanisms relativistic effects electron correlation
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Investigation of the transfer ionization process in collisions of partially stripped ions on He
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作者 刘会平 陈熙萌 +2 位作者 欧阳晓平 席发元 苏光辉 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第6期277-282,共6页
In this paper a projectile ion-recoil ion coincidence technique is used to investigate the transfer ionization processes in collisions of 0.22-6.30 MeV Cq+ ions and 0.25-6.35 MeV 0q+ ions (q=1, 2, 3, 4) with the H... In this paper a projectile ion-recoil ion coincidence technique is used to investigate the transfer ionization processes in collisions of 0.22-6.30 MeV Cq+ ions and 0.25-6.35 MeV 0q+ ions (q=1, 2, 3, 4) with the He atom separately. The cross section ratio f of transfer ionization to single electron transfer is measured, and the dependence of f on both charge state q and energy E of the projectiles is investigated. The electron-structure and the mechanisms leading to transfer ionization affect the dependence of f on q and E. Our measurements, along with other data published previously, suggest a similar dependence of f on charge state and energy of projectile for partially stripped ions over a large energy range. The maximum value of f is approximately 0.17q^0.60; the energy corresponding to maximum f is about 160q^0.60 keV/u. 展开更多
关键词 ion atom collision transfer ionization single electron transfer
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Multi-Electron Processes in 4.15-11.08 keV/u^13C^6+ on Argon Collisions
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作者 阮芳芳 蔡晓红 +11 位作者 于得洋 卢荣春 邵曹杰 李明生 张红强 崔莹 邵剑雄 丁宝卫 薛迎利 漆德君 杨治虎 陈熙萌 《Chinese Physics Letters》 SCIE CAS CSCD 2007年第4期921-924,共4页
The relative partial cross sections for ^13C^6+ -Ar collisions at 4.15-11.08 ke V/u incident energy are measured. The cross-section ratios σ^2E/σ^SC, σ^3E/σ^SC, σ^4E/σ^SC and σ^SE/σ^SC are approximately the c... The relative partial cross sections for ^13C^6+ -Ar collisions at 4.15-11.08 ke V/u incident energy are measured. The cross-section ratios σ^2E/σ^SC, σ^3E/σ^SC, σ^4E/σ^SC and σ^SE/σ^SC are approximately the constants of 0.514-0.05, 0.204-0.03, 0.064-0.03 and 0.024-0.01 in this region. The significance of the multi-electron process in highly charged ions (HCIs) with argon collisions is demonstrated (σ^ME/σ^SC as high as 0.794-0.06). In multi-electron processes, it is shown that transfer ionization is dominant while pure electron capture is weak and negligible. For all reaction channels, the cross-sections are independent of the incident energy in the present energy region, which is in agreement with the static characteristic of classic models, i.e. the molecular Coulomb over-the-barrier model (MCBM), the extended classical over-the-barrier model (ECBM) and the semiempirical scaling laws (SL). The result is compared with these classical models and with our previous work of ^13C^6+ -Ne collisions [Chin. Phys. Lett. 23 (2006) 95]. 展开更多
关键词 MULTIPLE-ELECTRON-CAPTURE HIGHLY-CHARGED ions MOMENTUM SPECTROSCOPY RECOIL-ION SLOW collisions CROSS-SECTions IONIZATION ENERGIES C-13(6+) atoms
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Production of recoil ions He^i+ accompanied by single electron loss of 0.2-7 MeV C^q+ and 0.25-5 MeV O^q+ (q = 1- 4) ions
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作者 陈熙萌 鲁彦霞 +6 位作者 丁宝卫 刘玉文 崔莹 高志民 付宏斌 杜娟 邵剑雄 《Chinese Physics B》 SCIE EI CAS CSCD 2007年第8期2384-2388,共5页
Target ionization accompanied with projectile electron loss is investigated for 0.2-7 MeV C^q+ (q = 1 - 4) with He and 0.25-5 MeV O^q+ (q = 1 - 4) with He collisions. For projectile single-electron loss channel,... Target ionization accompanied with projectile electron loss is investigated for 0.2-7 MeV C^q+ (q = 1 - 4) with He and 0.25-5 MeV O^q+ (q = 1 - 4) with He collisions. For projectile single-electron loss channel, the He double-to-single ionization ratio R is nearly independent of projectile charge state but dependent on the nuclear charge of projectile Zp. The results are analysed with atomic structure qualitatively. So far there have not existed the experimental data comparable with our results, to our knowledge. The ratio R is interpreted in terms of the two-step mechanism. This analysis agrees well with similar experiments in the literature. 展开更多
关键词 ion-atom collision CROSS-SECTION electron loss
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Multiple ionization of argon accompanied by electron loss and capture of 0.22-6.35 MeV C^q+ ions
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作者 陈林 陈熙萌 +9 位作者 邵剑雄 鲁彦霞 丁宝卫 崔莹 高志民 刘玉文 杜娟 谢江山 孙光智 刘兆远 《Chinese Physics B》 SCIE EI CAS CSCD 2007年第8期2378-2383,共6页
In this paper a projectile ions recoil ions coincidence technique is employed to investigate the target ionization and projectile charge state changing processes in the collision of 0.22-6.35 MeV Cq^+ (q = 1 - 4) i... In this paper a projectile ions recoil ions coincidence technique is employed to investigate the target ionization and projectile charge state changing processes in the collision of 0.22-6.35 MeV Cq^+ (q = 1 - 4) ions with argon atoms. The partial cross section ratios of the double, triple, quadruplicate ionization to the single ionization (or the single capture) of argon associated with single electron loss (or single electron capture) by the projectile are measured and compared with the previous experimental results. In the present experiment, it is observed that the ratios of ionization cross sections R associated with single loss and single capture depend strongly on the projectile charge state and vary significantly with different reaction channels as impact energy increases. In addition, this paper gets empirical scaling laws for the ionization cross section ratios R corresponding to the projectile single loss and finds that the ratios of the double ionization to the single ionization associated with single electron capture remain constant in the present energy range. 展开更多
关键词 multiple ionization electron loss electron capture ion-atom collisions
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Unimolecular Dissociation of H<sup>+</sup><sub style="margin-left:-6px;">2n+1</sub>Hydrogen Clusters: Measured Cross Sections and Theoretically Calculated Rate Constants
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作者 Mohamed Tabti Adil Eddahbi +2 位作者 Soufiane Assouli Lahcen El Arroum Said Ouaskit 《World Journal of Condensed Matter Physics》 2013年第4期207-215,共9页
In this paper, we studied the process of dissociation unimolecular of the evaporation of H+2n+1 hydrogen clusters according to size, using the Rice-Ramsperger-Kassel-Marcus (RRKM) theory. The rate constants k(E) were ... In this paper, we studied the process of dissociation unimolecular of the evaporation of H+2n+1 hydrogen clusters according to size, using the Rice-Ramsperger-Kassel-Marcus (RRKM) theory. The rate constants k(E) were determined with the use of statistical theory of unimolecular reactions using various approximations. In our work, we used the products frequencies instead of transitions frequencies in the calculation of unimolecular dissociation rates obtained by three models RRKM. The agreement between the experimental cross section ratio and calculated rate ratio with direct count approximation seems to be reasonable. 展开更多
关键词 RRKM Rice-Ramsperger-Kassel-Marcus Direct Count METHOD Classical METHOD Whitten-Rabinovitch METHOD High-Energy CLUSTER Collision FRAGMENTATION Phenomena CLUSTER FRAGMENTATION IONIC HYDROGEN Clusters Ion-Atom collisions IONIC CLUSTER Cross Sections Molecular Dissociation Size Effect Metastable States HYDROGEN ions
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同步辐射在原子分子物理研究中的应用
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作者 丁伯承 吴睿昌 +4 位作者 封云飞 黄健业 廖剑峰 金鑫 刘小井 《自然杂志》 CAS 2024年第3期194-202,共9页
同步辐射是电子以接近光速做圆周运动或蛇行运动时,沿着运动轨道的切线方向发出的电磁辐射,或称为光。这种辐射覆盖了从红外线到硬X射线的宽幅波段,并且具有亮度高、相干性好等优点。特别是在软X射线和硬X射线波段,同步辐射光源是唯一... 同步辐射是电子以接近光速做圆周运动或蛇行运动时,沿着运动轨道的切线方向发出的电磁辐射,或称为光。这种辐射覆盖了从红外线到硬X射线的宽幅波段,并且具有亮度高、相干性好等优点。特别是在软X射线和硬X射线波段,同步辐射光源是唯一兼具高亮度和波长可调谐的光源,为研究原子分子与光子的相互作用过程提供了高度精细的实验利器,并由此打开解析微观世界新的大门。文章从同步辐射的产生过程剖析其关键要素,并综述了同步辐射在原子分子物理研究中的最新进展。 展开更多
关键词 同步辐射光源 原子与分子物理 电子离子探测
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Transfer ionization cross-sections measured in collisions of highly charged argon ions with neon target 被引量:1
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作者 马新文 刘惠萍 +6 位作者 陈熙萌 杨治虎 申自勇 王友德 于得洋 蔡晓红 刘兆远 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS 2003年第5期552-560,共9页
Multiple electron transfer processes are studied for Arq+ + Ne (q = 8, 9, 11, 12) collisions by using multi-parameter coincidence techniques. Various electron transfer processes are identified experimentally and the r... Multiple electron transfer processes are studied for Arq+ + Ne (q = 8, 9, 11, 12) collisions by using multi-parameter coincidence techniques. Various electron transfer processes are identified experimentally and the related cross-sections are measured. The dependence of transfer ionization cross-sections on the recoil charge states is compared with the results from the modified molecular classical overbarrier model. It is found that the modified model described the experimental results reasonably. 展开更多
关键词 HIGHLY CHARGED ion-atom collisions multiple electron transfer TRANSFER ionization cross-section.
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X-ray emission from 424-MeV/u C ions impacting on selected target 被引量:1
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作者 周贤明 程锐 +9 位作者 雷瑜 孙渊博 王瑜玉 王兴 徐戈 梅策香 张小安 陈熙萌 肖国青 赵永涛 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第2期143-147,共5页
The K-shell x-rays of Ti, V, Fe, Co, Ni, Cu, and Zn induced by 424-MeV/u C^(6+) ion impact are measured. It is found that the K x-ray shifts to the high energy side and the intensity ratio of Kβ/Kα is larger than... The K-shell x-rays of Ti, V, Fe, Co, Ni, Cu, and Zn induced by 424-MeV/u C^(6+) ion impact are measured. It is found that the K x-ray shifts to the high energy side and the intensity ratio of Kβ/Kα is larger than the atomic data, owing to the L-shell multiple-ionization. The x-ray production cross sections are deduced from the experimental counts and compared with the binary encounter approximation(BEA), plane wave approximation(PWBA) and energy-loss Coulomb-repulsion perturbed-stationary-state relativistic(ECPSSR) theoretical predictions. The BEA model with considering the multipleionization fluorescence yield is in better consistence with the experimental results. In addition, the cross section as a function of target atomic K-shell binding energy is presented. 展开更多
关键词 high energy heavy ions ion-atom collisions x-ray emission
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Reconstruction of Ionization Density Distribution in Hall Thruster Channel from Ion Energy Spectrum of Plasma Jet
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作者 李玉全 于达仁 《Plasma Science and Technology》 SCIE EI CAS CSCD 2006年第6期666-669,共4页
Propellant ionization in the Hall thruster discharge channel is a significant process and has strong influence on the thruster's efficiency. In this work, the functional relation has been established between the ioni... Propellant ionization in the Hall thruster discharge channel is a significant process and has strong influence on the thruster's efficiency. In this work, the functional relation has been established between the ionization density distribution and the function of the ion energy distribution through the basic equations governing the ion flow in the Hall thruster channel and the method achieved for reconstructing the ionization density distribution inside the channel by ordinary plasma diagnosis of the potential distribution and ion energy spectrum of the plasma jet. The ionization density distributions of single and double charged ions in an ATON-thruster channel have been reconstructed according to the experimental data of the potential distribution along the axis of the channel and the ion energy spectrum of the plasma jet. The agreement between the calculation and experimental results of the percentage of double charged ions proves the validity of our method achieved in this work. 展开更多
关键词 ionization density distribution ion energy spectrum ion energy distribution function atom densitv acceleration voltage
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~7LiH分子X^1Σ^+态的平衡几何、谐振频率、离解能及其解析势能函数 被引量:18
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作者 施德恒 戴启润 +3 位作者 王栋臣 王林 张东玲 熊宝库 《信阳师范学院学报(自然科学版)》 CAS 北大核心 2006年第2期144-147,152,共5页
利用分子反应静力学的原理,确定了7L iH分子X1Σ+态的合理离解极限;使用HF、QC ISD、QC ISD(T)、B3LYP和B3P86等方法,6-311G、6-311G(d,p)、6-311G(3df,3pd)、D95V(d,p)和D95V(3df,3dp)等基组,对7LiH分子X1Σ+态的平衡核间距、谐振频率... 利用分子反应静力学的原理,确定了7L iH分子X1Σ+态的合理离解极限;使用HF、QC ISD、QC ISD(T)、B3LYP和B3P86等方法,6-311G、6-311G(d,p)、6-311G(3df,3pd)、D95V(d,p)和D95V(3df,3dp)等基组,对7LiH分子X1Σ+态的平衡核间距、谐振频率和离解能进行了优化计算,且将计算结果(平衡核间距0.160 9 nm、谐振频率1 390.51 cm-1、离解能2.474 eV)与实验结果(平衡核间距0.159 6 nm、谐振频率1 405.7cm-1、离解能2.515 eV)进行了比较,得出了包含单、双取代并加入三重激发贡献的QC ISD(T)方法为最优方法、基组6-311G(3df,3pd)为最优基组的结论.在QC ISD(T)/6-311G(3df,3pd)理论水平,对7LiH分子的X1Σ+态进行了单点能扫描,并用最小二乘法拟合出了其解析势能函数;从拟合出的解析势能函数出发,计算出了X1Σ+态的光谱常数Be,αe和ωeeχ(其值分别为7.379 cm-1、0.197 6 cm-1和21.697 cm-1),以及二阶、三阶和四阶力常数f2、f3和f4(其值分别为106.37 aJ.nm-2、-3 650.4 aJ.nm-3和112 176.2 aJ.nm-4). 展开更多
关键词 原子与分子物理 原子分子碰撞 电子结构 解析势函数 ^7H Boee-Einstein凝聚
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非全裸氟离子与氖原子碰撞中的转移电离研究 被引量:4
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作者 于得洋 陈熙萌 +8 位作者 杨治虎 王强 卢荣春 刘惠萍 祁中 吴翠娥 蔡晓红 马新文 刘兆远 《原子核物理评论》 CAS CSCD 北大核心 2002年第2期172-175,共4页
采用位置灵敏探测和散射离子 反冲离子飞行时间技术测量了强相互作用区F2 + 和F3 + 离子与Ne原子碰撞中的转移电离截面与单电子俘获截面之比 .与Fq+ He实验结果进行了比较 ,并进行了定性讨论 .
关键词 非全裸氟离子 氖原子 离子-原子碰撞 转移电离 电子俘获 原子物理
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