Theoretical approach to the study of vibrational effects on strong field ionization of molecules with alignment-dependent tunneling ionization rates

The tunneling ionization rates of vibrationally excited N2 molecules at the ground electronic state are calculated using molecular orbital Ammosov–Delone–Krainov theory considering R-dependence. The results show that molecular alignment significantly affects the ionization rate, as the rate is mainly determined by the electron density distribution of the highest occupied molecular orbital. The present work indicates that the ratios of alignment-dependent rates of different vibrational levels to that of the vibrational ground level increase for the aligned N2 at the angle θ = 0？, and suggests that the alignment-dependent tunneling ionization rates can be used as a diagnostics for the influence of vibrational excitation on the strong field ionization of molecules.

Calculation of the Duration of the Atomic Tunneling Ionization in a Strong Electrostatic Field by Using Bohmian Trajectories Approach

The duration of a bound electron tunneling through the barrier formed by atomic potential and electrostatic field is calculated by the Bohmian trajectories scheme. The time of the tunneling ionization decreases with the increase of the amplitude of the electrostatic field. By using the information about the position, velocity and force of the Bohmian trajectories, the dynamical process of tunneling through the barrier is investigated.

Theoretical research on the transport and ionization rate coefficients in glow discharge dusty plasma

The electron kinetic model for investigating the transport and ionization rate coefficients of argon glow discharge dusty plasma is developed from the Boltzmann equation.Both of the electron-neutral and electron-dust collisions are considered as collision terms in the kinetic equation.The kinetic equation is simplified by employing the local approximation and nonlocal approach under the same discharge conditions,and the corresponding simplified kinetic equations are known as local and nonlocal kinetic equations respectively.Then the electron energy distribution function(EEDF)is obtained by numerically solving the local and nonlocal kinetic equations and the dust charging equations simultaneously.Based on the obtained EEDFs,the effective electron temperature,electron mobility,electron diffusion coefficient and ionization rate coefficient are calculated for different discharge conditions.It is shown that the EEDFs calculated from the local kinetic model clearly differ from the nonlocal EEDFs and both the local and nonlocal EEDFs are also clearly different with Maxwellian distributions.The appearance of dust particles results in an obvious decrease of high energy electrons and increase of low energy electrons when axial electric field is low.With the increase of axial electric field,the influence of dust particles on the EEDFs becomes smaller.The electron mobility and diffusion coefficients calculated on the basis of local and nonlocal EEDFs do not differ greatly to the dust-free ones.While,when dust density nd=10^6 cm^?3,the electron mobility increases obviously compared with the dust-free results at low axial electric field and decreases with the increasing axial electric field until they are close to the dust-free ones.Meanwhile,electron diffusion coefficients for dusty case become smaller and decrease with the increasing axial electric field.The ionization rate coefficients decrease when dust particles are introduced and they approach the dust-free results gradually with the increasing axial electric field.

Investigation of Angular Dependence of Strong-Field Tunneling Ionization for Asymmetric Diatomic Molecule HeH^(2+)

We determine the structure parameters for the asymmetric heteronuclear diatomic molecule HeH2＋ at several internuclear distances with the molecular wavefunctions obtained by solving the time-independent Schr6dinger equation with B-spline basis. Then the angular dependence of strong-field ionization rates of HeH2＋ are investigated with the molecular tunneling ionization theory. We show that the shape of several lowly excited states （i.e. 2pσ, 2pπ, 3dσ） for HeH2＋ are reflected in the orientation dependent ionization rates very well, however, the angle-dependent ionization rate fails to follow the angular distribution of the asymptotic electron density for the ground state lsσ. We also show that the internuclear distance dependent ionization probabilities are in a good agreement with the more accurate result obtained from the numerical solution of the time-dependent Schr6dinger equation.

Non-sequential double ionization of helium-like atom

In this paper, author investigated the effect of the Coulomb potential of the core of atomic helium on the rescattering processes. Through the calculation author concluded that the Coulomb potential effect may not play an important role in causing the discrepancy between the experimental data and theoretical results of Kuchievs model, and the NS ionization is dependent on the frequency of the laser field. Furthermore, it is concluded that the strength of the laser field and the charge number of the core affect the frequency regime corresponding to the peak value of the NS ionization rate.

Model of the Pulsing Atom

In this work, we reanalyzed the movement of an electron in the electrostatic field of nucleus. The trajectory of the electron’s motion is an ellipse with a minor semiaxis, tending towards zero. From a mathematical point of view the movement of an electron in such an orbit will be equivalent to the oscillation of an electron. The action produced by electrons in movement between stationary points is discrete and proportional to a Planck constant. This condition sets the allowable values of the electron energy and the radius of their orbit. Electrons on the same shell perform symmetric synchronous oscillations. Their frequency is of the order of 1016 Hz. Most of the time the electrons are located on the periphery of the atom, periodically they simultaneously rush to the nucleus, the atom rapidly compresses and immediately decompresses, i.e. pulsates. The model gives Bohr formula for the energy of single-electron atom and suitable values of ionization potentials of the atoms of the second period of the Periodic Table.

中高Z元素原子、离子的电子碰撞电离与激发截面快速计算方法

中高Z元素的原子数据如碰撞电离和碰撞激发截面在聚变工程、X射线与物质相互作用等工程及研究领域有非常广泛的需求.高能量密度等离子体中存在从基态到激发态的原子和各价态离子,其碰撞电离和碰撞激发截面需要分别计算.本文以73号元素钽(Ta)为例,基于相对论性Dirac-Fock理论和扭曲波模型计算了基态Ta原子到Ta^(72+)离子在入射电子能量范围为1-150 keV的碰撞电离与碰撞激发截面,并与相关实验和理论模型符合较好.通过分析Ta的碰撞电离和碰撞激发截面数据中的规律,给出两种减少计算量的方法:对初态能级进行随机抽样、筛去贡献小的反应道,并对计算量的优化程度和误差做出评估.最终结果可在误差5%内将计算效率提高一个数量级,本文所提方法可推广至其他中高Z元素的计算.

Dynamic stabilization of Na atom in an intense pulsed laser field

We investigate theoretically the ionization properties of the valence electron for the alkali metal atom Na in an intense pulsed laser field by solving numerically the time-dependent Schrodinger equation with an accurate l-dependent model potential.By calculating the variations of the ionization probabilities with laser peak intensity for wavelengths ranging from 200 nm to 600 nm,our results present a dynamic stabilization trend for the Na atom initially in its ground state（3 s） and the excited states（3 p and 4 s） exposed to an intense pulsed laser field.Especially a clear ＂window＂ of dynamic stabilization at lower laser intensities and longer wavelengths for the initial state 4 s（the second excited state） is found.By analyzing the time-dependent population distributions of the valence electron in the bound states with the different values of principal quantum number n and orbital quantum number l,we can attribute the dynamic stabilization to the periodic population in the low-excited states since the valence electron oscillates rapidly between the lowly excited states and the continuum states.

Ion population fraction calculations using improved screened hydrogenic model with l-splitting

Ion population fraction（IPF） calculations are very important to understand the radiative spectrum emitted from the hot dense matter. IPF calculations require detailed knowledge of all the ions and correlation interactions between the electrons of an ion which are present in a plasma environment. The average atom models, e.g., screened hydrogenic model with l-splitting（SHML）, now have the capabilities for such calculations and are becoming more popular for in line plasma calculations. In our previous work [Ali A, Shabbir Naz G, Shahzad M S, Kouser R, Rehman A and Nasim M H 2018 High Energy Density Phys. 26 48], we have improved the continuum lowering model and included the exchange and correlation effects in SHML. This study presents the calculation of IPF using classical theory of fluctuation for our improved screened hydrogenic model with l-splitting（I-SHML） under local thermodynamic equilibrium conditions for iron and aluminum plasma over a wide range of densities and temperatures. We have compared our results with other models and have found a very good agreement among them.

极紫外阿秒脉冲产生过程的本征原子相位分析

为了研究高次谐波极紫外阿秒脉冲产生过程中的谐波相位匹配问题,基于光场电离高次谐波产生过程3步分析模型得出了高次谐波产生过程的理论描述解析式,并以此分析了阿秒脉冲产生过程中的高次谐波本征原子相位。由研究可知,除最高阶谐波外,对同一阶高次谐波产生有贡献的电子均有两类———长轨迹电子和短轨迹电子,各高次谐波长轨迹电子产生的谐波谱相之间几乎不存在线性关系,而短轨迹电子产生的高次谐波谱相之间则存在着良好的线性关系。结果表明,抑制各谐波长轨迹电子有助于产生更小脉宽阿秒脉冲。此结果对极紫外阿秒脉冲产生实验中的高次谐波相位匹配有重要的参考价值。

空气放电中电子输运参数的计算与分析

为了求解空气放电中电子的各种输运参数,详细介绍了通过Boltzmann方程计算气体放电参数的数值算法。进而分析了约化电场(E/nair)对电子能量分布函数的影响,电子扩散系数、迁移率与约化电场的关系,电离反应系数与电子平均能量的关系。仿真结果表明,随着约化电场强度不断增加,电子能量分布函数中最大比例电子数向能量增加的方向移动;电子的扩散系数和迁移率与其他研究者的实验数据基本一致,误差<10%;电子平均能量>2eV时,电离反应系数与Maxwellian分布函数的电离反应系数基本保持一致,证明该计算模型的合理性,为建立可靠的等离子体流体模型奠定良好基础。

线偏振强光场中的原子电离

在强场电离的研究中，电离速率是一个重要的参数，其中被广泛引用的ＡＤＫ 模型中描述线偏振强光场中原子隧道电离的电离速率公式存在错误，该错误对理论计算结果有一定影响． 利用修正前与修正后的ＡＤＫ 模型中描述线偏振强光场中原子隧道电离的电离速率公式，以Ｘｅ 原子及其各阶离子为例，对电离速率、阈值光强等参数进行了计算，讨论了公式修正前后对这些参数的理论计算结果的影响，并且利用修正后的公式计算出的阈值光强与相关的实验及理论计算的结果进行了对比，对比结果表明ＡＤＫ 模型和ＢＳＩ模型的计算结果与实验结果符合得很好．

槽型空心阴极放电特性的模拟

为进一步揭示槽型空心阴极放电的放电机理,利用流体-亚稳态原子传输模型模拟研究了槽型空心阴极放电等离子体参数的时空分布特性。模拟得到了不同时刻槽型空心阴极放电中电势、电子密度、电场场强和电离速率等的分布特性。结果表明槽型空心阴极放电在不同时刻处于不同的放电模式,即初始放电阶段为Townsend放电模式,此阶段以轴向放电为主;第2阶段为放电由槽外向槽内发展阶段,此阶段电场场强由轴向向径向转换;第3阶段为形成空心阴极效应放电模式阶段,此阶段逐渐形成稳定的阴极鞘层结构;第4阶段为稳定放电阶段,放电参数不随时间发生变化。研究结果为进一步分析空心阴极放电的时间发展特性提供了参考。

不同维度模型原子隧穿电离研究

本文数值求解一维和二维模型原子在强激光场作用下含时Schrdinger方程,研究了在隧穿电离区相同基态能量和相同峰值场强条件下二者的电离速率,发现一维模型计算得到的电离速率比二维的结果大很多.产生该电离速率差别的原因是不同维度下束缚电子所需隧穿的含时势垒的不同.

利用不同原子模型计算局部热力学平衡等离子体电离态(英文)

等离子体电离态分布是等离子体物理学中被广泛应用的重要物理量之一,而原子数据是电离态计算的前提.首先,利用Rubiano相对论性原子结构模型、Faussurier非相对论原子结构模型和高度简化的More模型,分别计算各种电离度的Fe离子能量.通过与自洽场结果的比较后认为,Faussurier模型给出的原子数据比较精确可靠.然后,再利用以上模型研究了局部热力学平衡Fe等离子体电离态随温度和密度的变化情况.计算结果表明,不同原子模型提供的原子数据对平均电离度的计算结果影响不大,但明显地影响等离子体中的离子丰度.本文对这些差异进行了物理分析.

钙原子二步三光子与三步三光子共振电离研究

激光共振电离光谱技术是痕量分析中的重要手段之一。本文以速率方程理论为基础 ,对钙原子的激光共振电离过程进行分析 ,通过编程对该原子的二步单色三光子和三步三色三光子非饱和激发电离过程进行模拟 ,得到了相应的电离效率与激光的能量、作用时间之间的关系曲线 ,并对这 2种电离方案进行了比较。

类锂离子电子碰撞直接和非直接电离速率系数

在库仑-玻恩交换近似及由我们改善了屏蔽常数定义和算法的Z标度类氢模型下,计算了类锂CⅣ、NⅤ和OⅥ离子的内、外壳层电子被入射电子碰撞的直接电离和非直接的激发自电离截面和速率系数。与实验结果比较,对于CⅣ、NⅤ和OⅥ,我们的计算截面值的最大相对误差分别不超过3％、11％和20％,并随入射电子能量的增加误差越来越小。与其它的理论结果相比,随着Z增加,我们计算的速率系数与实验结果符合得更好些。

铷原子钟物理部分的低剂量率辐射效应研究

铷原子钟物理部分是铷原子钟的原子鉴频器,决定铷原子钟的短期和长期稳定度(1s以上),其中使用了金属铷、玻璃、镍铁合金等材料和一些双极性晶体管、运算放大器等器件,其核心部件铷泡是一个采用特殊真空工艺制造的器件,这些材料、器件和工艺的低剂量率辐射效应需要实验评价。本文提出并完成了铷原子钟物理部分的低剂量率辐射实验,采用Co60γ源,辐射剂量率0.01rad(Si)/s,总剂量50krad(Si),对铷原子钟物理部分和铷泡的辐射效应分别进行了实验评估。这项研究更加真实地逼近了空间的电离辐射,实验数据对于星载铷原子钟的在轨运行监测和下一代星载铷原子钟的抗辐射设计具有重要的作用。

高功率脉冲磁控溅射钛靶材的放电模型及等离子特性

等离子密度及金属离化率是影响高功率脉冲磁控溅射沉积薄膜质量的关键因素,高功率脉冲磁控溅射参数(如电压、脉宽、沉积气压及峰值电流等)影响着等离子密度和金属离化率.本文利用MATLAB/SIMULINK建立等效电路模型,对高功率脉冲磁控溅射钛(Ti)靶材的放电电流曲线进行模拟,利用鞘层电阻计算Ti靶材鞘层处的等离子密度,并采用半圆柱体-整体模型理论计算Ti的离化率.研究发现:采用由电容、电感和电阻组成的等效电路模型,可以模拟Ti靶材的放电电流;在不同高功率脉冲溅射电压、脉冲宽度和不同沉积气压下,真空室等离子密度在2×10^(17)-9×10^(17)m^(-3)范围内,随着溅射电压、脉冲宽度及沉积气压的增加,鞘层处的平均等离子密度增大;在不同沉积气压下,Ti的离化率值在31%-38%之间,随着气压增加,Ti的离化率增加.

宽剂量率范围的集成电路瞬时电离辐射效应模拟方法研究

借助于计算机开展器件和电路辐射效应的数值模拟,已成为抗辐射加固电路设计、制造和辐射性能预测、评估的重要环节。文章深入研究了国际上先进的光电流模型,提出了一种适用于较宽剂量率范围的集成电路瞬时电离辐射效应模拟方法。针对一种CMOS电压反馈型运算放大器,建立了器件和整体电路的瞬时电离辐射效应SPICE模型,采用MATLAB和HSPICE相结合的方法计算了电路在多种约束条件下(电路设计参数、辐射条件等)的瞬时电离辐射响应(瞬态峰值电平和恢复时间)。本研究为其他类型CMOS集成电路在较宽剂量率范围下的瞬时电离辐射效应建模和仿真提供了参考。