Si2+离子与氢原子碰撞电离过程的CTMC计算

应用经典径迹蒙特卡罗方法研究Si²⁺离子与氢原子碰撞电离反应过程.计算了随 入射离子能量变化的总截面、出射电子随角度和能量变化的一阶、二阶微分截面,及出射电子随 入射离子能量变化的平均能量.根据计算结果,讨论展示了软碰撞、电子转移到入射离子连 续态、两体相遇碰撞等电离机理,阐明了它们对碰撞总截面、微分截面、电离电子能量的影 响.通过计算出射电子到入射离子和靶的距离比的电离电子数分布研究了不同入射离子能量 “鞍点”电离机理的可能性. 关键词： 重粒子碰撞过程 经典径迹蒙特卡罗方法 电离机理     

非全裸氟离子与氖原子碰撞中的转移电离研究

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. The ratios of the cross-section of the transfer ionization to the single electron capture of Neon induced by F 2+ and F 3+ ions are measured by means of the time-of-flight technologie. In the present energy range, the transfer ionization C1I1 of neon can be considered as a two-step process, in which one electron is captured by projectile and another one is directly ionized, and the transfer ionization C1I2 process should be considered as a subsequent rearrangement of neon following...     

Fragmentation of water by heavy ions

Absolute cross sections for fragmentation of water molecules by C3+ and O5+ ions over an energy region where the Bragg peak maximizes were measured for ionization, electron capture, and electron loss channels. A collision regime where sigmaSigmaOq+> or =sigmaH2O+ was reached for the first time, producing large abundances of H+ and O+ fragments in comparison to proton impact. Our findings have straightforward implications in the subsequent fast chemistry at the ionization site and on the O production in the first stages of water radiolysis. An unexpected channel-independent relationship between the cross sections for the fragmentation products, which is also approximately independent of the particle type, energy, and charge state, is found. A model is presented to explain such behavior allowing the cross sections of all fragmentation products to be obtained from single and double electron removal cross sections.     

甲醇/水混合团簇的多光子电离质谱研究

利用多光子电离技术结合飞行时间质谱仪对甲醇/水混合团簇进行了研究.在脉冲激光波长为355 nm条件下观测到团簇离子.主要的电离产物为质子化的(CH3OH)n(H2O)H+(n=l-13)混合团簇离子与(CH3OH)nH+团簇离子,经分析(CH3OH)1o(H2O) H+和(CH3OH)3H+为幻数结构.甲醇水混合团簇电离后团簇离子发生内部质子化转移反应是形成质子化团簇离子的主要原因.不同尺寸团簇离子信号强度随电离激光光强变化的光强指数曲线显示,团簇均发生四光子电离过程.     

丁酮分子的多光子电离-离解机理

研究了丁酮分子经(n0,3d)共振的多光子电离-离解机理(MPID).多光子电离-飞行时间质谱测得的主要离子产物是C2H3O+和CH3CH+2,C2H3O+的强度为CH3CH+2的2～5倍,还有少量C2H+2,C2H+3和CH+3离子,未见到母体离子.主要离子产物的分质量多光了电离谱结构相似,而各离子产物的光强指数不同.实验结果说明丁酮分子的多光子电离-离解机理符合母体离子阶梯模型,文中用梯开关模型对主要产物离子的产生机理进行了解释.     

Electron diffraction self-imaging of molecular fragmentation in two-step double ionization of water

We doubly ionize H(2)O by single photon absorption at 43 eV leading to H(+) + OH(+). A direct double ionization and a sequential process in which single ionization is followed by rapid dissociation into a proton and an autoionizing OH(*) are identified. The angular distribution of this delayed autoionization electron shows a preferred emission in the direction of the emitted proton. From this diffraction feature we obtain internuclear distances of 700 to 1100 a.u. at which the autoionization of the OH(*) occurs. The experimental findings are in line with calculations of the excited potential energy surfaces and their lifetimes.     

Total, partial, and electron-capture cross sections for ionization of water vapor by 20-150 keV protons

We present experimental results for proton ionization of water molecules based on a novel event by event analysis of the different ions produced (and lost). We are able to obtain mass analyzed product ion signals (e.g., H2O+, OH+, O+, O++, H+) in coincidence with the projectile analyzed after the collision, i.e., either being H+, neutral H after single electron capture during the ionization event, or H- after double electron capture. After proper calibration we are thus able to determine a complete set of cross sections for the ionization of a molecular target by protons including the total and the partial cross sections and in addition also the direct ionization and the electron capture cross sections.     

Correlation between double and nonresonant single ionization

We performed simultaneous measurements of electrons and ions produced in Xe photoionization driven by an 800-nm, 100-fs laser pulse. The obtained energy and angular resolved electron spectra allow the identification of the electronic states populated during the ionization. Xe2+ ions appear at the same laser intensity as electrons emerging from a nonresonant 9-photon ionization process of Xe. Similar to optical tunneling ionization, the nonresonant ionization delivers low-energy electrons needed for the formation of Xe2+ by a backscattering process.     

超短强激光脉冲与H2＋相互作用研究：经典与量子计算的比较

用经典动力学和量子力学方法分别研究了Ｈ２＋在超短强激光场中的电离、离解和残存行为，得到了相似的结果：即在超短强激光脉冲作用下，Ｈ２＋的电离占优，但有限的量子计算低估了Ｈ２＋的离解几率；而经典处理则没有显示Ｈ２＋在超强场中的稳定化。另外，经典计算表明当核间距Ｒ伸展到一定范围时，Ｈ２＋的电离率最大。这符合量子计算中发现的电荷谐振增强电离（ＣＲＥＩ）现象。     

Dissociative ionization cross sections of CO2 at electron impact energy of 5 keV

The dissociative ionization of CO2 induced by 5 keV electrons in two-body and three-body dissociative channels of CO2＋2 and CO3＋2 is identified by the ion-ion coincidence- method using a momentum imaging spectrometer. The partial ionization cross sections （PICSs） of different ionic fragments are measured and the results generally agree with the calculations made by a semi-empirical approach. Furthermore, the PICSs of the dissociative channels are also obtained by carefully considering the detection efficiency of the micro-channel plates and the total transmission efficiency of the time of flight system.     

Laser phase control of high-order harmonic generation at large internuclear distance: the H+ -H2+ system

Exact (Born-Oppenheimer) 3-D numerical solutions of the time-dependent Schr?dinger equation are obtained for the one electron linear H+-H2+ atom-molecule system at large internuclear distance R in interaction with two-cycles intense (I>10(14) W cm(-2)) 800 nm laser pulses. High-order harmonic generation (HHG) spectra are obtained with an energy cutoff larger than the atomic maximum of I(p)+3U(p), where I(p) is the ionization potential and U(p) is the ponderomotive energy. At large R, this extended cutoff is shown to be related to the nature of electron transfer, whose direction is shown to depend critically on the carrier-envelope phase (CEP) of the ultrashort pulse. Constructive and destructive interferences in the HHG spectrum resulting from coherent superpositions of electronic states in the H+-H2+ system are interpreted in terms of multiple electron trajectories extracted from a time profile analysis.     

低压下直流电弧热等离子体射流电子密度的光谱法测量

采用原子发射光谱仪研究低压直流电弧热喷涂等离子体射流的特性。利用Stark展宽法采集H_β谱线,使用其Δλ_1/2来计算等离子射流中的电子密度,研究了氢气流量、输入功率和探测距离对等离子体射流中电子密度的影响。使用Saha方程计算热等离子体的电离程度,研究了功率/氢气流量与等离子体电离程度的关系。结果表明:电子密度和电离程度随着电流强度的增大而增加;氢气流量增加可以明显提高等离子体射流的能量,但对电离程度影响不大。     

初始振动态对氢分子离子电离通道的影响

通过数值求解非Born-Oppenheimer近似条件下的一维含时薛定谔方程,理论模拟了H2+在不同核初始振动态条件下(=0到=7)的库仑爆炸核初始动能释放谱。模拟结果表明：强激光场中氢分子离子的电离通道主要包括直接多光子电离、电荷共振增强电离及有中间过程的电荷共振增强电离,并且可以通过选取不同的初始振动态实现对氢分子离子电离通道的控制。     

Investigation of electron localization in harmonic emission from asymmetric molecular ion

We theoretically investigate the electron localization around two nuclei in harmonic emission from asymmetric molecular ion. The results show that the ionization process of electron localized around one nucleus competes with its transfer process to the other nucleus. By increasing the initial vibrational level, more electrons localized around the nucleus D+tend to transfer to the nucleus He2+so that the ionizations of electrons localized around the nucleus He2+increase. In this case, the difference in harmonic efficiency between He H2+and He D2+decreases while the difference in harmonic spectral structure increases. The evident minimum can be observed in the harmonic spectrum of He H2+compared with that in the spectral structure of He D2+, which is due to the strong interference of multiple recombination channels originating from two nuclei. Time-dependent nuclear probability density, electron-nuclear probability density, double-well model, and time-frequency maps are presented to explain the underlying mechanisms.     

初始振动态对氢分子离子电离通道的影响

通过数值求解非Born-Oppenheimer近似条件下的一维含时薛定谔方程,理论模拟了H2+在不同核初始振动态条件下(=0到=7)的库仑爆炸核初始动能释放谱。模拟结果表明：强激光场中氢分子离子的电离通道主要包括直接多光子电离、电荷共振增强电离及有中间过程的电荷共振增强电离,并且可以通过选取不同的初始振动态实现对氢分子离子电离通道的控制。     

电子碰撞激发氢原子和氦离子散射微分截面的计算

本文详细介绍计算电子碰撞激发散射截面的扭曲波玻恩近似（DWBA）理论模型,并对低能DWBA模型进行修正。利用修正的DWBA模型计算了电子碰撞激发氢原子和氦离子1s-2s 和1s-2p的散射微分截面。将关于氢原子由基态到n=2态的电子碰撞激发散射微分截面与绝对实验测量数据比较,发现二者符合得很好,这验证了我们对DWBA修正的正确性。本文工作为拟合强场诱导的氦原子非序列双电离关联电子动量谱提供了有效的理论方法。     

水中放电等离子体状态方程的理论研究

 水中放电等离子体通道内温度达2×10⁴～5×10⁴ K、而压力达1～10 GPa。在这样的参数下,等离子体的状态方程已不能用理想气体状态方程来描述。首次考虑了粒子间的相互作用对水中放电等离子体参数下粒子电离能的影响,计算了电子的简并性、带电粒子间的库仑相互作用、原子内部能级扰动所产生的压力。计算结果表明：当H、O原子和离子的总密度n=10²⁹ m^-3时,若考虑电离能漂移,则电子密度提高的最大幅度达70%;电子的简并性对压力的影响很小;粒子间的库仑相互作用在高温区使总压减小较显著,但在所计算的参数范围内,其幅值也不大于10%;当n=10²⁹ m^-3、T≈2×10⁴ K时,原子内部能级的扰动使总压增大约30%。     

乙胺分子的多光子电离过程质谱研究

报道了乙胺分子在４４０～４７５ｎｍ波长范围内多光子电离（ＭＰＩ）质谱（ＭＳ）研究结果。碎片离子主要由母体离子碎裂模式产生。母体离子ＣＨ３ＣＨ２Ｎ＋·Ｈ２由经３ｓ里德堡态的（２＋２）共振多光子电离产生后，大部分发生β键断裂，形成ＣＨ２＝Ｎ＋Ｈ２离子，还有一部分再吸收一个光子，通过Ｃ－Ｈ（ＣＨ２）键的断裂产生了ＣＨ３ＣＨ＝Ｎ＋Ｈ２离子。ＣＨ３ＣＨ＝Ｎ＋Ｈ２和ＣＨ２＝Ｎ＋Ｈ２离子最容易发生的碎裂过程是脱去氢分子，分别产生Ｃ２Ｈ４Ｎ＋（分子式）离子和ＣＨ≡Ｎ＋Ｈ离子。     

Stimulated desorption of cations from pristine and acidic low-temperature water ice surfaces

Electron-impact ionization of low-temperature water ice leads to H+, H+2, and H+(H2O)(n=1-8) desorption. The 22 eV H+ desorption threshold is correlated with localized 2-hole 1-electron and 2-hole final states which Coulomb explode, while the 22 eV H+2 threshold is due to H2O+ unimolecular dissociation. The 70 eV primary cluster ion threshold is consistent with holes in the 2a(1) level and secondary ionization channels. All cation yields are sensitive to local structural changes and probe surface acidity. The cluster size distribution indicates hole-hole screening distances of 1-2 nm.     

低能O~(5+)离子穿过H_2靶后的电荷态分布

实验测量了0.75 MeV的O5+离子穿过一定长度不同原子数密度H2靶后的电荷态分布;理论模拟了出射离子的平均电荷态以及达到平衡后的平均电荷态,得到了与实验吻合较好的结果。研究表明,随着靶原子数密度的增大,离子在碰撞过程中俘获电子的几率随之增加,平均电荷态降低;当靶原子数密度达到或超过1014 cm-3,入射离子俘获电子和被碰撞电离的两个作用过程达到平衡,出射离子的平衡平均电荷态约为1.2。