Two Electron Transfer and Stabilization in Slow O6+ and Rare-Gas Collisions

The stabilization ratios.. for double-electron transfer, i.e., the cross section ratios of true double capture to total double-electron transfer, are measured in O6++ He, Ne and Ar collisions at 6 keV/u. A high.. value about 68% is obtained for the He target, while for the Ar target, the.. value is only 8%. The high R value for the He target is due to the significant direct population of the (2l, nl') configurations with high n For the Ar target, the (quasi) symmetric configurations (3l, nl') lead to the much lower.. value. Neglecting the core effects, the O6+ ion can be taken as a bare ion C6+ except the occupied 1s shell, and then the measured R values are compared with previous experimental results of C6+ projectile ions at similar impact velocity. It yields good agreement with the Ne and Ar target, while the occupied 1s shell for the O6++ He system results in a higher R value than that in C6++He collisions.

New development of advanced superconducting electron cyclotron resonance ion source SECRAL (invited)

Superconducting electron cyclotron resonance ion source with advance design in Lanzhou (SECRAL) is an 18-28 GHz fully superconducting electron cyclotron resonance (ECR) ion source dedicated for highly charged heavy ion beam production. SECRAL, with an innovative superconducting magnet structure of solenoid-inside-sextupole and at lower frequency and lower rf power operation, may open a new way for developing compact and reliable high performance superconducting ECR ion source. One of the recent highlights achieved at SECRAL is that some new record beam currents for very high charge states were produced by 18 GHz or 18+14.5 GHz double frequency heating, such as 1 e mu A of Xe-129(43+), 22 e mu A of Bi-209(41+), and 1.5 e mu A of Bi-209(50+). To further enhance the performance of SECRAL, a 24 GHz/7 kW gyrotron microwave generator was installed and SECRAL was tested at 24 GHz. Some promising and exciting results at 24 GHz with new record highly charged ion beam intensities were produced, such as 455 e mu A of Xe-129(27+) and 152 e mu A of Xe-129(30+), although the commissioning time was limited within 3-4 weeks and rf power only 3-4 kW. Bremsstrahlung measurements at 24 GHz show that x-ray is much stronger with higher rf frequency, higher rf power. and higher minimum mirror magnetic field (minimum B). Preliminary emittance measurements indicate that SECRAL emittance at 24 GHz is slightly higher that at 18 GHz. SECRAL has been put into routine operation at 18 GHz for heavy ion research facility in Lanzhou (HIRFL) accelerator complex since May 2007. The total operation beam time from SECRAL for HIRFL accelerator has been more than 2000 h, and Xe-129(27+), Kr-78(19+), Bi-209(31+), and Ni-58(19+) beams were delivered. All of these new developments, the latest results, and long-term operation for the accelerator have again demonstrated that SECRAL is one of the best in the performance of ECR ion source for highly charged heavy ion beam production. Finally the future development of SECRAL will be presented.

强流高电荷态离子的产生和传输研究

本文对ECR离子源强流高电荷态离子的产生、金属离子的产生、强流多电荷态混合离子束的传输做了深入细致的研究。设计建造了一台全新的高电荷态ECR离子源-LECR3（兰州第三台高电荷态ECR离子源），该离子源的目标是产生强流高电荷态离子，设计上应用了多种提高高电荷态离子产额的关键技术：采用了高磁场模式；在保证弧腔内壁处径向磁场的前提下尽量增大弧腔的内径；使用铝制等离子弧腔；应用负偏压技术；新的微波馈入方式。经过调试和优化，其结果达到了国际同类离子源最好水平，其中O7+和Ar11+的束流强度为240eμA，O6+为780eμA，Xe26+为90eμA，Xe30＋也有6eμA。目前该离子源已经投入原子物理实验平台供束近两年。进行了金属离子产生的研究，并且成功地为加速器提供了5种金属离子。设计了一种结构紧凑的微小型金属加热炉，经过调试和优化，用炉子加热法在离子源上产生了多种金属的高电荷态离子，其中Ca11+可以达到140eμA，针对该种炉子的缺点又设训一了一种高温炉；用MIVOC（Metallic Ionfrom VOlatile Colnpounds）法调试了镍和铁的离子，其中Fe13+的束流强度为140eμA，为目前国际同类离子源最好水平。提出了一种全新的研究低能强流多电荷态混合离子束传输的方法，包括理论和实验两部分，理论上采用蒙特卡罗方法来模拟离子的传输轨迹，考虑电荷交换和空间电荷效应的影响，自行编写了MCIB计算程序，并进行了初步计算；实验上采用单丝和Wien-Filter探测技术来监测混合束的传输路径和某一截而上的各不同元素种类和不同电荷态离子的密度分布，做了初步实验，并且对计算结果和实验结果做了比较和分析，给出了该类束流的传输特性。

高电荷态ECR离子源的设计与实验研究

本文详细论述了三种各具特色的高电荷态ECR离子源的设计与研制，它们分别是：14．SGHz全永磁高电荷态ECR离子源LAPEC咫、传统常温ECR离子源GTS、混和超导ECR离子源HECRIS。另外，还从理论与实验两个方面对ECR离子源多电荷态离子束流的引出进行了详细研究。设计研制了一台高性能14．SGHz全永磁ECR离子源LAPECRZ，该离子源的设计尺寸为杯50mm*560mm，重量可达9ookg以上，为目前世界上体积与重量最大、设计参数最高的全永磁ECR离子源。全永磁离子源的尺寸增大一些，其加工与研制所存在的难度将会有质的变化。研制LAPEC形所存在的技术难度大大超过了以往所有全永磁ECR离子源。LAPECR2的磁场参数为：注入磁场1 ．4T，如果加注入端辅助铁扼，磁场可达2．6T；引出磁场为1 ．1T；六极永磁体在弧腔内壁产生的最大径向磁场的设计值为1．22T，实际加工得到的磁场大小为1．2T，与计算结果基本一致。该离子源的设计采用了多种特殊技术与方法以提高引出高电荷态离子束流强度，如：双层含铝衬底的等离子体弧腔、铝制等离子体电极、冷阴极电子枪（注入端负偏压电极）、旁轴微波直接馈入与等离子体位置相对于磁场可调等等。目前，我们已开始源体的组装。GTS离子源为目前世界上运行性能最好的常温ECR离子源之一。它的设计指导思想是ECR离子源的经验结论scaling Laws，高磁场、高磁镜比，高磁场梯度是该离子源磁场设计的主要特点。设计时充分考虑了多频加热机制，允许多频功率同时馈入弧腔：IOGHz＋14GHz＋18GHz＋ZSGHz。良好的磁场约束、灵活的磁场结构设计、高频率大功率微波馈入、大体积弧腔、足够的冷二次电子注入、优良的真空抽气系统、以及有效的束流引出系统等等都是该离子源高性能表观的原因。经过近一年半的优化与调试，该离子源运行性能优良，能产生很多领先国际伺类ECR源的离子束流，如：1.95emAO6+，O·semAArll”，o．15e拜AArl犷，31Oe瘩建叙e，哪se拼A豁岁”与0.4eμAXe39+为18GHz时调试的结果：1.OemAAr8+，1.8eμAAr17+24OeμAXe20+ ，20eμAxe30+与0.3oe从Axe38＋为在14GHz调试的最好结果。该离子源已多次为原子物理实验提供了Ar17+与Ar18+等高电荷态离子束流。HECRIS是一台高性能混和超导ECR离子源，其各项设计参数均高于GTS源，以保证该离子源能具有比GTS更好的性能。它的最小B场型设计继续沿袭现在ECR离子源设计惯用的Scaling Laws设计思想。该离子源采用较高频率的微波馈入，设计运行范围为18GHz-24GHz。该离子源着重于在运行调试中实现对轴向最小磁场Bmin的调节与匹配，这里采用两组超导线包进行辅助调节。径向磁约束由一个能在弧腔内壁产生1．6T径向磁场的六极永磁体提供，它强磁场设计与部分磁块存在的退磁问题的解决也是该离子源的一大特点与难点。文中还详细讨论一个高性能的Halbach结构六极永磁体的设计方法。分别从永磁材料选取、物理尺寸优化、结构选择等角度，结合理论分析与PolssON，PERMAG和TOscA3D程序的模拟计算结果，对六极永磁体的性能进行了全面的分析，提出两种确定六极永磁体中存在退磁磁块的办法，并且提出了一种用高极化矫顽力永磁材料替代退磁磁块中所采用的永磁材料的解决办法。对多电荷态ECR离子源的引出进行了理论与实验两方面的研究。利用PBGUNS程序，对ECR离子源的引出系统进行了一定的理论分析。通过模拟计算，详细地论述了引出系统的各主要物理参数对ECR离子源引出离子束流品质的影响。这些得到的结果，对设计一套高性能的ECR离子源引出系统具有一定的指导意义。结合理论分析，我们还设计完成了一系列关于ECR离子源引出系统的实验，来研究多电荷态离子束流的引出与短距离传输。采用电扫描发射度测量系统（ESS）探测离子束流在x与y方向的发射度，用两个荧光靶分别在束运线不同位置探测束流的束斑形状，并利用一个亮度探测器对束斑相对亮度进行探测。通过多组实验结果的处理，分别分析了离子源的几个主要参数如磁场、微波、掺气、偏压等对引出束流品质的影响并结合相关理论给予了解释，通过对混合多电荷态离子束流的三电极引出实验结果的讨论，建立了一个关于高电荷态ECR离子源束流引出的较为清晰的物理图象。

高电荷态离子引起的富勒烯离子的碎裂研究

在里昂第一大学原子物理平台上，采用静电离子阱技术，我们在三个激发能区内研究了高电荷态离子与富勒烯作用后C603”离子的稳定性及其碎裂方式。在56 kev的Ars＋离子与富勒烯碰撞中，当碰撞参数很大时，稳定的C研离子被一个静电离子阱俘获，储存一段时间后存活的离子被探测器测量，实验结果显示C_16oll（l．＝2-5）离子的损失主要是由于与剩余气体发生电荷交换，其相对于碎裂衰变过程的寿命大于400毫秒。在‘擦边碰撞，过程条件下，研究了处于低激发态的C60r+离子在20微秒内蒸发CZ分子的过程。基于考虑了热辐射的统计模型，给出了碰撞产生的C60r+离子的激发能的分布。随着碰撞参数的减小，当入射离子穿过C6。分子时，由于电子阻止使C6厂离子处于高激发态。通过测量发射电子数目，实验上确定了C60r＋离子的初始电荷态，本工作分析了高激发态的C60r＋离子碎裂前的电荷态与入射离子速度之间的关系，发现C60r”离子的碎裂方式只与它的初始电荷态有关，而与入射离子速度无关；同时，发射电子的个数可以用来表征C60什离子的激发能的大小

Chemical Bonding and Electronic Structure of 4d-Metal Monosulfides

Bond distances, vibrational frequencies, dissociation energies, electron affinities, ionization potentials and dipole moments of the title molecules in neutral and charged ions were studied by use of density functional method. Ground states for each molecule were assigned. The calculated bond distance decreases with the increasing of atomic number of 4d metals, reaches minimum at RhS, then increases. For cationic molecules, the calculated bond distance decreases to the minimum at MoS+, then increases. The calculated vibrational frequency decreases from YS(YS+) to PdS(PdS+) for both neutral and cationic molecules. The bond ionic character decreases from YS(YS+) to PdS(PdS+) for neutral and cationic molecules. The bonding patterns are discussed and compared with the available studies.

Electronic structures and chemical bonding in diatomic ScX to ZnX (X = S, Se, Te)

Bond distances, vibrational frequencies, electron affinities, ionization potentials, dissociation energies, and dipole moments of the title molecules in neutral, positively, and negatively charged ions were studied using density functional method. Ground electronic state was assigned for each molecule. The bonding patterns were analyzed and compared with both the available data and across the series. It was found that, besides ionic component, covalent bonds are formed between the metal s, d orbitals, and the p orbital of S, Se, and Te. For neutral and cationic molecules, the covalent character increases from ScX to CrX and from FeX to CuX with an exception of decrease at MnX and ZnX, while for anionic molecules, the trend is not obvious. For both neutral and charged molecules, the sulfides have the shortest bond distance and largest vibrational frequency, while tellurides have the largest bond distance and smallest vibrational frequency. For neutral and anionic molecules, the dissociation energy of sulfides is the largest, that of tellurides is the smallest, while this only remains true for cationic molecules from ScX+ to FeX+.

Electronic structures and chemical bonding in 4d transition metal monohalides

Bond distances, vibrational frequencies, dipole moments, dissociation energies, electron affinities, and ionization potentials of NIX (XM = Y-Cd, X = F, Cl, Br, I) molecules in neutral, positively, and negatively charged ions were studied by density functional method, B3LYP. The bonding patterns were analyzed and compared with both the available data and across the series. It was found that besides ionic component, covalent bonds are formed between the 4d transition metal s, d orbitals, and the p orbital of halogen. For both neutral and charged molecules, the fluorides have the shortest bond distance, iodides the longest. Although the opposite situation is observed for vibrational frequency, that is, fluorides have the largest value, iodides the smallest. For neutral and anionic species, the dissociation energy tends to decrease with the increasing atomic number from Y to Cd, suggesting the decreasing or weakening of the bond strength. For cationic species, the trend is observed from Y to Ag.

Density functional studies of diatomic LaO to LuO

Bond distances, vibrational frequencies, electron affinities, ionization potentials, dissociation energies and dipole moments of the title molecules in neutral, positively and negatively charged ions were studied by use of density functional method. Ground electronic state was assigned for each molecule. The bonding patterns were analyzed and compared with both the available data and across the series. It was found that besides ionic component, covalent bonds are formed between the metal s, d and f orbitals and oxygen p orbitals. Contrary to the well known lanthanide contraction, the bond distance is not regular from LaO to LuO for both neutral and charged molecules. An obvious population at 5d orbital was observed through the lanthanide series. 4f electrons also participate the chemical bonding for CeO to NdO and TbO to TmO. For EuO, GdO, YbO and LuO, 4f electrons tend to be localized. The spin multiplicity is regular for neutral and charged molecules. The spin multiplicity of the charged molecules can be obtained by -1 (or +1 for TbO+, DyO+, YbO- and YbO+) compared with the corresponding neutral molecules.

Electronic structures of 5d transition metal monoxides by density functional theory

Bond distances, vibrational frequencies, electron affinities, ionization potentials, and dissociation energies of the diatomic 5d transition metal (except La) monoxides and their positively and negatively charged ions were studied by use of density functional methods B3LYP, BLYP, B3PW91, BPW91, B3P86, BP86, MPW1PW91, PBE1PBE, and SVWN. Our calculation shows that for each individual species, the calculated properties are quite sensitive to the method used. Compared with hybrid density functional method B3PW91 (B3P86), pure density functional method BPW91 (BP86) gives longer bond distance (lower vibrational frequency) from HfO to PtO for neutral species, HfO+ to IrO+ for cationic species, and HfO- to AuO- for anionic species. While for B3LYP and BLYP, the trend was observed for cationic species from HfO+ to IrO+ and anionic species from HfO- to AuO- (except TaO-), but not for neutrals. Pure density function methods BLYP, BPW91, and BP86 give larger dissociation energy compared with hybrid density functional methods B3LYP, B3PW91, and B3P86. SVWN in most cases gives the smallest bond distance, while BLYP gives the largest value. MPW1PW91 and PBE1PBE show the same performance in predicting the spectroscopic constants.

Theoretical investigation of 5D-metal monocarbide

Bond distances, vibrational frequencies, electron affinities, ionization potentials and dissociation energies of the title molecules in neutral, positively and negatively charged ions were studied by use of density functional method. The calculated results were compared with previous theoretical and experimental studies. Ground states for each molecule were assigned. It was found that for some molecules, low-lying state, in which the energy is much close to the ground state, was obtained. In this case, further studies both experimentally and theoretically are necessary in order to find the true global minimum.

Electronic structures and chemical bonding in transition metal monosilicides MSi (M=3d, 4d, 5d elements)

Bond distances, vibrational frequencies, electron affinities, ionization potentials, dissociation energies, and dipole moments of the title molecules in neutral, positively, and negatively charged ions were studied using the density functional method. Ground state was assigned for each species. The bonding patterns were analyzed and compared with both the available data and across the series. It was found that besides an ionic component, covalent bonds are formed between the metal s, d orbitals and the silicon 3p orbital. The covalent character increases from ScSi (YSi) to NiSi (PdSi) for 3d (4d) metal monosilicides, then decreases. For 5d metal monosilicides, the covalent character increases from LaSi to OsSi, then decreases. For the dissociation of cations, the dissociation channel depends on the magnitude of the ionization potential between metal and silicon. If the ionization potential of the metal is smaller than that of silicon, channel MSi+-> M++Si is favored. Otherwise, MSi+-> M+Si+ will be favored. A similar behavior was observed for anions, in which the dissociation channel depends on the magnitude of electron affinity.

Chemical bonding and electronic structure of 4d-metal monocarbides

Bond distances, vibrational frequencies, dissociation energies, electron affinities, ionization potentials and dipole moments of the title molecules in neutral and charged ions were studied by use of density functional method. Ground states for each molecule were assigned. For neutral and cationic molecules, the bond distance decreases from YC (YC+) to RhC (RhC+), then increases, while for anionic molecules, the bond distance decreases from YC- to RuC-, then increases. Opposite trend was observed for vibrational frequency. The bond ionic character decreases from ZrC to PdC for neutral molecules. The bonding patterns are discussed and compared with the available studies.

Cys-92, Cys-95, and the C-terminal 12 residues of the Vibrio harveyi ferric uptake regulator (Fur) are functionally inessential

Ferric uptake regulator (Fur) is a global regulator involved in multiple aspects of bacterial life. The gene encoding the Vibrio harveyi Fur (Fur(vh)) was cloned from a pathogenic V. harveyi strain isolated from diseased fish. Furvh shares 77% overall sequence identity with the Escherichia coli Fur (Fur(Ec)) and could complement a mutant of Fur(Ec). Like Fur(Ec), Fur(Vh), possesses two cysteine residues at positions 92 and 95, yet unlike Fur(Ec), in which these cysteine residues constitute part of the metal ion coordination site and hence are vital to the repressor activity, C92 and C95 of Fur(Vh) proved to be functionally inessential. Further study identified a Vibrio Fur signature sequence, which is preserved in all the ten Vibrio Fur proteins that have been discovered to date but in none of the non-vibrio Fur proteins. Site-directed and random mutation analyses of the signature residues, the cysteine residues, and seven highly charged amino acid residues indicated that D9, H32, C137, and K138 of Fur(vh) are functionally important but D9, C137, and K138 can be replaced by more than one functional substitutes. Systematic deletion analysis demonstrated that the C-terminal 12 residues of Fur(Vh) are functionally inessential. These results (i) indicated that the activation mechanism, or certain aspects of which, of Fur(Vh) is possibly different from that of Fur(Ec); and (ii) suggested that it is not very likely that the C-terminal 12 residues play any significant role in the activation or stability of Fur(Vh); and (iii) provided insights into the potential function of the local structure involving C137 and K138.

Covariance analysis of the Coulomb explosion of ammonia induced by intense nanosecond laser at 532 nm

The Coulomb explosion of ammonia clusters induced by nanosecond laser at 532 not with an intensity of similar to 10(12) Wcm(-2) has been studied by time of flight mass spectrometry. The dominant multiply charged ions are N3+ and N2+ with kinetic energies of 110 and 50 eV respectively. The electrons generated from the multiphoton ionization are heated through inverse bremsstrahlung by the laser field when colliding with neutral or ionic particles. When their energies surpass the corresponding ionization potentials of the molecules or ions, the subsequent electron impact ionization may take place thus resulting in multi-charged nitrogen ions. Covariance analysis is made to study the possible pathways of the Coulomb explosion.