双原子分子多光子电离强场效应的含时波包动力学研究

强激光非线性条件下分子的多光子电离过程呈现出较为明显的强场效应.由于这种效应不能用传统的量子微扰论来处理,“缀饰态”模型方法提供了物理图象清晰的处理光与物质相互作用的方案.本文基于含时波包动力学的基本理论,将激光场看作经典场,利用“缀饰态”模型研究了强场下双原子分子(NO、RbI等)的多光子电离过程.研究表明,激光场的强度、泵浦-探测脉冲延迟时间等对多光子电离光电子能谱的形状有着重要的影响,而这种影响是由光诱导势引起的.另外,在研究具有两个连续态的RbI体系时,自电离现象的发生也与势能面的交叉密切相关,并受外场强度的影响.本文计算模拟外场中分子的光电子能谱时所得到的强场效应对理解和实现原子分子过程的激光操控具有重要的意义.     

氩等离子体物态方程的TF简化模型

对于高温高压下氩等离子体的电离度和物态方程,本文给出了一种基于Thomas-Feimi(TF)统计模型的简化计算新方法:首先将TF模型电离势的数值结果进行函数逼近,给出一个便于数值求解的计算电离度的近似计算方法,并由此计算了局部热动平衡下的氩等离子体在10～1000 eV高温范围内的物态方程.计算结果与国外报道的其他几种理论模型的计算结果均符合很好,与实验值也吻合较好.本文所提出的简单模型也适用于计算混合物物态方程,可以在电磁发射技术领域中的强电离等离子体中有更为广阔的应用前景.     

Effect of melting on ionization potential of sodium clusters

The effect of melting transition on the ionization potential has been studied for sodium clusters with 40, 55, 142, and 147 atoms, using ab initio and classical molecular dynamics. Classical and ab initio simulations were performed to determine the ionization potential of Na₁₄₂ and Na₁₄₇ for solid, partly melted, and liquid structures. The results reveal no correlation between the vertical ionization potential and the degree of surface disorder, melting, or the total energy of the cluster obtained with the ab initio method. However, in the case of 40 and 55 atom clusters, the ionization potential seems to decrease when the cluster melts. Received 1st November 2002 Published online 24 April 2003 RID="a" ID="a"e-mail: ar@phys.jyu.fi     

Theoretical and experimental investigations on the threshold of a laser-induced breakdown of air

The threshold of a laser-induced breakdown of air is determined experimentally and theoretically. We find that the ionization of air has two steps: the first step is a multi-photon ionization process, which provides enough"seed electrons" to initiate the next step, and the second one is predominated by cascade ionization, which continues to produce free electrons geometrically until the critical free-electron density for breakdown is reached. So a two-step model based on the Morgan ionization model is established to describe the breakdown process. It is found that the time node dividing the two steps is about 9.8 ns in atmospheric air, and the threshold derived from the two-step model proposed here is more consistent with the experimental results than traditional ionization model.     

电离能下降对于硅等离子体辐射不透明度影响的研究

电离能下降的现象与等离子体的成分、电离分布、热力学、输运性质息息相关,其精确测量值对于整个实验的模型检验和方案设计都至关重要.本文考虑粒子数的涨落,对经典的Stewart和Pyatt的模型进行修正,并耦合进先前发展的等离子体模型.利用修正的模型对熊刚等人的实验进行了解释,发现当前模型所得结果要优于其他理论结果,与实验更加一致.     

一种计算氩等离子物态方程的简单模型

将Thomas-Feimi统计模型电离势的数值结果进行函数逼近，给出一个便于近似数值求解的解析表达式和计算电离度的近似计算方法，计算了Ar元素LTE情况下的电离度和物态方程，结果与Saha模型的计算结果和实验结果符合较好.所提出的简单模型也适用于计算混合物物态方程，可以在电磁发射技术领域中的强电离等离子体中有广阔的应用前景. 关键词： 等离子体 物态方程 电离势 电离度     

Strongly magnetized antihydrogen and its field ionization

Internal orbits of experimentally analyzed antihydrogen (H) atoms depend as much on an external magnetic field as on the Coulomb force. A circular "guiding center atom" model is used to understand their field ionization. This useful model, assumed in the theory of three-body H recombination so far, ignores the important coupling between internal and center-of-mass motion. A conserved pseudomomentum, effective potential, saddle point analysis, and numerical simulation show where the simple model is valid and classify the features of the general case, including "giant dipole states."     

FIELD IONIZATION OF MOLECULES IN AN INTENSE LASER FIELD

In order to predict the field ionization probabilities, the accurate ab initio electrostatic potential of molecules has to be calculated. However, the calculation of the full ab initio electrostatic potential of molecules is complicated, even impossible for some larger molecules with low symmetry. Here, we present a semi-empirical model to treat the field ionization of molecules in an intense laser field. In this model, a modified Coulomb potential is used to take the place of the complicated ab initio electrostatic potential of molecules. The analytic equations of the Keldysh adiabatic parameter using the Coulomb potential and the modified Coulomb potential have first been given. Using our semi-empirical model, we have calculated the field ionization probabilities and the Keldysh adiabatic parameters of O₂, N₂, SO₂, C₂H₄, CH₃CN and C₆H₆ in an intense laser field. The results agree excellently with the calculations using the ab initio electrostatic potential of molecules. As the modified parameter for the Coulomb potential can be found from experimental measurements, the field ionization mechanism of molecules can be immediately predicted with our semi-empirical model.     

Two-colour coherent control of multiphoton ionization： a comparison between long-range and short-range potential model atoms

Using the numerical solution of the time-dependent Schr\"odinger equation of a one-dimensional model atom in a two-colour laser field, we have investigated the effects of the potential models on coherent control of atomic multiphoton ionization. It is found that the photoelectron spectra are obviously different for the long-range (Coulomb-like) and short-range (with no excited bound states) potential model atoms, which are produced by two-colour coherent control of atomic multiphoton ionization in a few laser cycles. Our results indicate that two-colour coherent control of atomic multiphoton ionization can be observed in simulations, depending on the choice of the model potentials.     

Calculation of cross sections of simultaneous ionization in ion-atom collisions by the generalized geometrical model

The geometrical model (GM) of ionization in ion—atom collisions [8, 9] was generalized to describe ionization of both colliding particles (simultaneous ionization) due to electron—electron interaction. The generalized GM (GGM) allows calculation of the cross sections for electron loss by an incident particle with simultaneous target ionization at collision velocities higher than characteristic electron velocities, accurate within a factor of two with respect to the Born or impulse approximation. An advantage of the GGM, except for its simplicity, is easy calculation of p(b) (p is the ionization probability and b is the impact parameter), which makes it possible to include the contribution of simultaneous ionization into more general approximate schemes for calculating cross sections of multielectron ionization of atoms or ions.     

Investigation on the influence of atomic potentials on the above threshold ionization

We systematically investigate the influence of atomic potentials on the above-threshold ionization （ATI） spectra in one-dimensional （1D） cases and compare them with the three-dimensional （3D） case by numerically solving the time-dependent Schrrdinger equation. It is found that the direct ionization plateau and the rescattering plateau of the ATI spectrum in the 3D case can be well reproduced by the 1D ATI spectra calculated from the supersolid-core potential and the soft-core potential, respectively. By analyzing the factors that affect the yield of the ATI spectrum, we propose a modified-potential with which we can reproduce the overall 3D ATI spectrum. In addition, the influence of the incident laser intensities and frequencies on the ATI spectra calculated from the proposed modified potential is studied.     

惰性物质等离子体物态方程研究

对高温高压下惰性等离子体的电离度和物态方程，给出了一种基于Thomas-Feimi(TF)统计模型的简化计算新方法，即首先对TF模型电离势的数值结果进行函数逼近，得出近似计算电离势的简单解析函数；在局部热动平衡情况下，假定离子数密度n(Z^*)为Z^*的连续函数，再由Debye-Hückel修正的 Saha 方程，得出了一个便于数值求解的电离度的近似计算公式，从而建立了一种惰性等离子体物态方程的简化模型，并对氦、氖、氩三种惰性物质等离子体进行了计算.计算结果与其他文献计算结果和实验值均符合很好.所提出的简单模型也适用于计算混合物物态方程，在高温高密度强电离等离子体领域将有更为广阔的应用前景.     

Two-dimensional Penning ionization electron spectroscopic study on outer characteristics of molecules

Collision-energy/electron-energy-resolved two-dimensional Penning ionization electron spectroscopy (2D-PIES) has been used to study outer characteristics of molecules. Anisotropic potential energy surfaces for collisional ionization of molecules with a metastable helium atom He*(2³S) have been determined starting from ab initio model potentials via optimization based on trajectory calculations. Since ionization widths in the theoretical model of Penning ionization are functionals of target molecular orbitals, outer electron distributions of molecular orbitals can be determined via optimization procedures of calculated ionization cross-sections by trajectory calculations with respect to observed 2D-PIES data.     

An improved model for soil ionization around grounding system and its application to stratified soil

An improved model for taking into account the effect of the soil ionization around grounding system under lightning strike is proposed in this paper. In this model, the soil ionization region is assumed to retain 7% of its pre-ionization resistivity, which is consistent with the experimental results on soil ionization found in literature (Trans. SA Inst. Electr. Eng. (1988) 63; AIEE Trans. 61 (1942) 349; Proc. IEE 121(2) (1974) 123) and our own laboratory experiments (Time domain modelling of the response of grounding systems subjected to lightning currents, Licenciate Thesis, Uppsala University, 2003). Compared with modelling the soil ionization as an increase in the size of the ground conductor, the model presented here will not overestimate the beneficial influence of the soil ionization in reducing the ground potential rise, especially in high resistivity soil. The model is also applied to study the transient behaviour of grounding conductors in stratified soil under lightning strike including soil ionization. It shows that making the grounding conductor to penetrate the lower resistivity soil layer could help to decrease the ground potential rise at the injection point several times.     

Collisional-radiative ionization and recombination coefficients for quasi-stationary homogeneous hydrogen and hydrogenic ion plasmas

The recombination and ionization coefficients have been re-calculated on the basis of the collisional-radiative model. The numerical results obtained deviate from those published byBates, Kingston, andMcWhirter. The deviations reach a factor of about four for the recombination and a factor ten for the ionization coefficients. The smallest deviations occur in the recombination coefficients when the plasma is assumed to be optically thin in all transitions. The conditions for the applicability of the collisional-radiative model are discussed.     

类氢氖基态电离势随等离子体温度密度的变化

采用自洽场离子球模型,研究类氢氖基态1s的电离势随等离子体电子温度及电子密度的变化规律,计算得到基态电离势的百分偏移量随等离子体电子密度的变化关系,拟合结果表明两者的对数值满足很好的线性关系.该结果对计算等离子体电离态分布及光谱模拟具有一定意义.     

Ionization of Rydberg atoms by the kicks of half-cycle pulses

We present a quantum mechanical model to study the ionization of quasione-dimensional Rydberg atoms interacting with half-cycle pulses (HCPs) and use it to demonstrate the inadequacy of semiclassical approaches to calculate ionization probabilities of such atoms subject to the impact of more than one HCP. For a single-kicked atom both models correctly reproduce the experimentally observed ‘s-curve’ as can be seen by plotting the ionization probability P as a function of momentum transfer q₁. We demonstrate that for a twice-kicked atom, the semiclassical model yields numbers for P which are not physically realizable. For fixed values of momentum transfers q₁ and q₂, in a twice-kicked atom, the ionization probability as a function of time delay between the kicks exhibits periodic decay and revival. The results of the semiclassical approach appear to agree with the quantum mechanical values at the times of revival of P, else these show considerable deviation. We attempt to provide a physical explanation for the limitation of the semiclassical approach.     

Sputtering and secondary ion yields of metals subjected to oxygen ion bombardment

The yields of sputtering and secondary ion emission of metals under oxygen ion bombardment were simultaneously measured for multi-layer targets with known layer thickness. The sputtering yield of each layered metal was determined by the time to sputter away the thin film. The experimental results revealed that the sputtering yields of metals were reversely proportional to the energy transfer factor in the classical head-on collision model and a linear relationship was found between the ionization potential and a modified degree of ionization which can be expressed by the ionization potential and the secondary O⁺₂ current.     

The He(I) photoelectron spectra of amine N-oxides

The He(I) photoelectron spectrum of β-hydroxyethyldimethylamine N-oxide shows the degenerate pair of N-oxide ionic states to be shifted by 0.49 eV to higher ionization potential, relative to the non-hydrogen bonded system. The two bands remain nearly degenerate. The ionization of the hydroxy lone pair is shifted by > 0.6 eV to lower ionization potential. INDO calculations for the corresponding ionic configurations of a model system (NH₃O + H₂O) are compared with the experimental observations.     

Comparative analysis of the strong-field ionization of a quantum system with the Coulomb and short-range potentials

The dynamics of a hydrogen atom and a 3D model quantum system with a short-range potential is investigated using the direct numerical integration of the nonstationary Schrödinger equation in a wide range of laser intensities and frequencies. The simulation data are compared with the predictions of variants of the Keldysh-type theories. It is demonstrated that, in the low-frequency (tunnel) limit, the ionization rates of the systems with the Coulomb and short-range potentials and the same values of the ionization potential significantly differ from each other whereas, in the high-frequency (single-photon) limit, we do not observe a substantial difference between the ionization rates. Specific features of the angular distribution of the photoelectron emission and the photoelectron energy spectra are investigated in detail. In addition, the ionization suppression is studied for both Coulomb- and short-range-potential atoms. The stabilization is due to the dramatic reconstruction of the atom in the presence of a strong laser field and the formation of a new system (Kramers-Henneberger atom) that exhibits an increasing resistance to the ionization upon an increase in the laser intensity. In the two-photon ionization regime, the stabilization phenomenon is substantially more pronounced for the system with the Coulomb potential. This results from the effective excitation of the Rydberg states of the dressed atom in the strong-field limit.