H2O分子在不同电荷态的重离子作用下的离化

利用含时密度泛函理论和局域密度近似方法，计算了H2O分子在速度为12．5α0／fs的重离子C^＋和C^2＋作用下产生的各种电荷态的H2O分子离子的几率、平均逃逸电子数和偶极矩的变化随时间的演化。计算结果表明，在重离子势最大时，电偶极矩的变化最大，重离子的电荷态越高，得到高电荷态H2O分子的几率越大；重离子远离分子时，电偶极矩的变化趋于平缓。The time-dependent density functional theory （TDDFT） and local density approximation （LDA） are used to calculate the dipole moment changes, the ionization probabilities of the H20 molecule and the time-dependent probabilities of escaped electrons in the process of excitation of H2O molecule by C^＋ , C^2＋ with energy of 2.3 MeV/u. It is shown that the dipole moment changes of H2O are the greatest and the higher the charge staate of heavy ion, the bigger the probabilities of the high charge state of H2O molecule at maximal heavy ion potential. The dipole moment changes slightly when heavy ion leaved far from molecule.     

自由钨团簇与氮分子反应性的尺寸相关性

用激光蒸发团簇源产生Wn团簇束 ,团簇通过一个充有N2 气体分子的低压反应池 ,利用飞行时间质谱探测反应产物 ,在单次碰撞条件下研究了W+ 10 —W+ 50 和N2 分子的反应性 ,在室温条件下测量了N2 分子与W+ n 团簇反应的反应几率 .n =10— 2 6的团簇与N2 分子的反应几率与团簇尺寸有很强的相关性 ,n =16 ,2 2 ,2 3的团簇有较高的反应性 .W+ n 与N2 分子的反应性与Wn与N2 分子的反应性显示出相似的规律性. A beam of tungsten clusters, seeded in He gas, is produced in a pulsed laser vaporization source. We have studied the size-dependent reactivity of positive tungsten cluster ions with N 2 under single-collision conditions by using laser-vaporization source, low-pressure reaction cell and time-of-flight mass spectrometer. The reaction probability with N 2 molecule was measured as a function of cluster size, W + 10-W + 50, for clusters produced at room temperature...     

团簇离子在固体中能损的非线性效应

研究了每核子能量为 2 6 0— 4 5 0keV的H₊2,H₊3,H₊4 H₊5和H₊7团簇离子在金膜中的能损 .发现团簇离子中平均每个质子的能损大于相同速度的单质子能损 ,即能损比大于 1,且随团簇离子的大小和速度的增加而增加. The energy losses of cluster ions H₊2,H₊3,H₊4 H₊5 and H₊7with energy of 260-450 keV/p in solid films have been measured. It has been found that the energy loss per proton in clusters is larger than that of single proton with the same velocity as clusters, that is, the energy ratio is larger than 1. Energy ratio increases with increasing the cluster size and velocity.     

Peripheral collisions of highly charged ions with metal clusters

Within the framework of the dynamical classical over-barrier model,the soft collisions between slow highly charged ions(SHCIs) Ar 17+ and the large copper clusters under large impact parameters have been studied in this paper.We present the dominant mechanism of the electron transfer between SHCIs and a large metal cluster by computational simulation.The evolution of the occupation of projectile ions,KL x satellite lines,X-ray yields,Auger electron spectrum and scattering angles are provided.     

载能团簇离子在物质中的能量损失

实验表明,团簇离子在物质中的能量损失并不等于各成分单独作用的总和,而是具有非线性效应．这种非线性效应与团簇离子的能量、团簇的种类和大小、团簇成分之间的空间关联程度以及作用物质的结构有关．对团簇作用的非线性效应研究对于了解团簇与物质相互作用的机制具有非常重要的理论意义．MeV能区的团簇离子在物质中的非线性电子能损和核能损方面的直接实验数据还相当缺乏,其理论模型也更待建立．评述了载能团簇离子在物质中的能量损失及测量方法．Fast ions deposit energy in matter through electronic and nuclear collision processes. The relaxation of the deposited energy induces emission of photons, electrons, ions, and neutral species from the target. Comparing with single incident ion, cluster induces many new phenomena: such as non-linear energy loss, non-linear emission of secondary ions, production of giant tracks and craters in various irradiated materials. These new phenomena induced by clusters are attributed to the vicinage effect ......     

Derivative fluorimetry analysis of new cluster structures formed by ethanol and Water molecules

The ultraviolet （UV） light excited fluorescence spectra of ethanol-water mixture with different concentrations are investigated by derivative fluorimetry. It is found that there are 8 types of luminescent cluster molecules, formed by ethanol and water molecules in different ways, existing in the solution. The peak wavelengths of all these clusters＇ fluorescence spectra are measured and their contents are obtained by measuring the peak values in the second derivative fluorescence spectra. The spectra corresponding to the 8 types of clusters are obtained by Gaussian decomposition. It is found that two kinds of cluster molecules whose peak wavelengths are 330 and 345 nm have an optimal excitation wavelength located at （236 4- 3） nm. This research contributes to the study of ethanol-water cluster structures and their physical and chemical characteristics.     

Comparison of Secondary Ion Emissions from Carbon Nanotubes under Bombardments of MeV Si and Si2 Clusters

The emission yields of H, H2, H3 and heavy ions from carbon nanotubes under bombardments of Si and Si2 clusters in an energy range of 0.3-3 MeV per atom are measured by using the time-of-flight technique (TOF). The emission yields of the secondary ions increase with increasing energy of Si and the electronic stopping processes play an important role. The enhanced emission yields of secondary ions induced by Si2 clusters at the low energies are clearly seen and attributed to the vicinage effect of the nuclear collision processes of cluster constituents and the secondary ion emissions are still dominated by electronic stopping processes at high energies.     

加速器束流脉冲化及氢二次离子发射研究

详细介绍了快速高压晶体管开关在加速器束流脉冲化和用于二次离子测量的加速器飞行时间谱仪上的应用. 利用飞行时间法研究了碳纳米管在不同能量的Si和Si2团簇离子轰击下氢二次离子的发射. 实验结果表明， 在每个原子质量单位的速度为2.5×108 cm/s以上， Si和Si2离子引起的氢二次离子的发射主要受电子阻止过程控制； 在每个原子质量单位的速度为2.5×108 cm/s以下和Si2团簇离子轰击的情况下， 氢二次离子的发射产额明显增加， 团簇离子在靶表面的核能损增强效应起主要作用. The application of Fast High Voltage Transistor Switches (HTS) in pulsed ion beam and the time of flight(TOF ) setup is described. Secondary ion emissions from carbon nanotubes under bombardments of MeV Si and Si2 clusters are measured by using TOF. The measurements indicate that the yield of the secondary ion emissions of hydrogen increases with increasing energy of Si and it is attributed to the electronic processes. The yield of the secondary ions of hydrogen decreases with increasing energy of Si2 clusters and the enhancement of nuclear energy loss of cluster constituents at the surface of sample plays a more significant role in the secondary ion emission of hydrogen at the low energies.     

强激光场中氘团簇双重膨胀引发核聚变

在超强fs激光与氘团簇的相互作用中, 分析了可以引发核聚变的高能氘核产生的原因,提出了团簇双重膨胀的机制,计算了氘核动能及团簇解体的时间, 为选取合适的激光脉冲宽度参数提供参考. Considering the Coulomb explosion induced by the interaction of a deuterium cluster target with ultra intensity femtosecond laser,the causation which generate energetic deuterium nuclei for the fusion has been analyzed. The mechanism for the dual explosion of deuterium cluster is proposed, and hence the velocity of deuterium nuclei and the expansion time of deuterium ion clusters have been estimated.     

Coulomb Explosion and Energy Loss of Energetic C20 Clusters in Dense Plasmas

The molecular dynamics （MD） method is used to simulate the interactions of energetic C20 clusters with the dense plasma targets within the framework of the linear Vlasov-Poisson theory. The influences of various clusters （H2, N2, C20 and C60 respectively） on stopping power are discussed. The simulation results show that the vicinage effects in the Coulomb explosion dynamics and the stopping power are strongly affected by the variations in the cluster speed and the plasma parameters. Coulomb explosions are found to proceed faster for higher speeds, lower plasma densities and higher electron temperatures. In addition, the cluster stopping power is strongly enhanced in the early stages of Coulomb explosions due to the vicinage effect, but this enhancement eventually diminishes, after the cluster constituent ions are sufficiently separated. For the large and heavy clusters, the stopping power ratio reaches much higher values in the early stage of Coulomb explosion owing to the constructive interferences in the vicinage effect.     

Ionization of metal clusters by ions in the Fermi velocity range

We simulate excitation of metal clusters by highly charged, energetic ions, analyzing electron emission in terms of discrete ionization probabilities. Our test case is the collision of on the cluster at velocities around the electronic Fermi velocity of bulk sodium. The calculations are performed with a density-functional approach, using the time-dependent local density approximation. We find that ionization takes place on an extremely short time scale of less than 5 fs. The preferred final charge state depends sensitively on the impact parameter. High ionization can easily be achieved in sufficiently close collisions. Direct trapping through the by-passing ion is found to be of little importance at the velocities considered. Received: 28 July 1997 / Received in final form: 23 December 1997 / Accepted: 8 January 1998     

Atomic lifetimes and transition probabilities in boron-like (Na VII) and beryllium-like (Na VIII) sodium ions

Spectra and decay curves of boron-like (Na VII) and beryllium-like (Na VIII) sodium ions produced by beam-foil excitation have been recorded in the 30-60 nm spectral range and the radiative lifetimes of seven n=2 levels have been measured. The experimental results are compared with the available theoretical values and with new results obtained in the framework of two theoretical approaches: the Relativistic Hartree-Fock approximation and the Multiconfiguration Dirac-Fock method. Corroborated by the fair agreement of the new theory data with experiment, a new set of accurate transition probabilities for the 2s^22p-2s2p² and 2s2p²-2p³ transitions of Na VII is presented.     

Exciton model description of energy spectra following pion absorption in40Ca

The spectra of charged particles emitted following the absorption of negative pions at rest in⁴⁰Ca are calculated. The pion is assumed to be absorbed on a cluster of two or more nucleons resulting in the emission of a primary particle while the remainder of the cluster equilibrates in the nucleus due to further interactions resulting in the emission of secondary particles. The latter process is described by the exciton model valid at the excitation energies encountered for the present case. The proton spectrum is well reproduced assuming absorption on two nucleon clusters only, with a value ofR(np/pp) =8+-2 for the ratio of the absorption on a quasi-deuteron to that on a quasi-diproton. The analysis of complex particle spectra indicates pion absorption on heavier clusters also and leads to a phenomenological determination of probabilities for these absorption processes relative to those for two-nucleon clusters.     

Collision-induced fragmentation and neutralization of methanol cluster cations

This contribution addresses the inelastic interaction of positively charged molecular cluster ions with a solid surface at kinetic energies up to 30 eV/molecule. We report experimental results on the scattering of mass-selected, protonated methanol cluster cations (CH₃OH)_nH⁺, n = 4-32, off a diamond-coated silicon surface. In particular we provide fragment size distributions of methanol cluster ions following their impact on the target, as well as surface-induced neutralization probabilities of methanol cluster ions as a function of the size and the kinetic energy of the parent clusters. Received 30 November 2000     

Ionization dynamics of simple metal clusters in intense fields by the Thomas-Fermi-Vlasov method

The time-dependent response of simple metal clusters to femtosecond laser pulses is investigated using the semiclassical theory based on the Vlasov equation. Starting from a Thomas-Fermi ground state the dynamics are calculated by use of the pseudoparticle method. Systems studied here are sodium clusters containing up to 147 atoms. Both, the energy transfer to the cluster, which is largely affected by the plasmon enhanced absorption, and the following release of energy to the ions are examined in detail. During the laser excitation the feedback of the absorption to the development of the plasmon energy is controlled by competing mechanisms: ionization and cluster expansion. Characteristics of the Coulomb explosion are studied as function of photon energy and cluster size, particularly with regard to the dynamical influence of collective excitations of the electrons. We also predict features in the angular distribution of the ions that could be measured to test the calculated dynamics.Received: 9 December 2003, Published online: 16 March 2004PACS: 52.50.Jm Plasma production and heating by laser beams (laser-foil, laser-cluster, etc.) - 36.40.Vz Optical properties of clusters - 36.40.Gk Plasma and collective effects in clusters     

(XB2)2(X=Al, Be, Na, Mg)团簇的密度泛函研究

用密度泛函理论(DFT)的杂化密度泛函B3LYP方法在6-31G*基组水平上对(XB2)2(X=Al,Be,Na,Mg)团簇各种可能的构型进行几何结构优化,预测了各团簇的最稳定结构.并对最稳定结构的电子结构、振动特性、成键特性和电荷特性等进行了理论研究.结果表明,团簇的几何结构大多是平面结构,通常是B-B键和B-X键共存,较少出现X-X键.团簇的稳定结构中通常是几个呈负电性的B原子形成一个负电中心,而其他B原子和X原子处在端位,且显正电性.     

几何构型不同的Na团簇碰撞动力学研究

采用距离相关紧密束缚的分子动力学模型,在不同碰撞能量以及不同的碰撞参数下,研究了两种构型的Na6(2D),Na6(3D)与Na8团簇间的碰撞.讨论了反应机制的变化,即全融合、深度非弹、非弹性碰撞过程.结果表明:构型不同的团簇与相同的靶碰撞显示了不同的特征.低能时Na6(3D)易融合;DIC反应时,易于形成大的团簇 关键词： Na团簇 原子团簇碰撞 紧束缚模型     

Reactive ion scattering from ice in a molecular dynamics perspective

This is a study into the scattering dynamics of the alkaline ions Cs⁺, K⁺, Na⁺, and Li⁺ from an ice surface, and the process of abstracting water molecules by the scattered ions to form ion–water clusters as a result of the ion–dipole attraction. In a classical molecular dynamics computer simulation a semi-empirical ion–water interaction potential and a modified version of the TIP3P ice model are employed.The thickness of the ice structure at the surface greatly affects the abstraction efficiency. From a thin ice overlayer all alkaline ions exhibit similar scattering probabilities, but Cs⁺ abstracts water molecules most efficiently; its lower speed facilitates a mechanism where the Cs⁺ in its outgoing trajectory pulls water molecules out of the ice structure. From a thick ice structure the scattering probabilities decrease dramatically due to an effective energy transfer to the ice structure. A more grazing angle of incidence reduces the energy transfer and enhances the scattering probabilities for the lighter alkaline ions. The deprived formation of ion–water clusters in the simulations confirms that from thick ice the cluster formation probability is reduced by at least three orders of magnitude.     

Rayleigh instabilities in multiply charged sodium clusters

The stability of multiply charged sodium clusters Na(q+)(n) (q< or =10) produced in collisions between neutral clusters and multiply charged ions A(z+) ( z = 1 to 28) is experimentally investigated. Multiply charged clusters are formed within a large range of temperatures and fissilities. They are identified by means of a high-resolution reflectron-type time-of-flight mass spectrometer (m/deltam approximately 14 000). The maximum fissility of stable clusters is obtained for z = 28 and is X approximately 0.85+/-0.07, slightly below the Rayleigh limit (X = 1). It is mainly limited by the initial cluster temperature (T approximately 100 K).