平均原子模型中谱线位置偏移对辐射不透明度的影响

使用平均原子(average atom,AA)模型计算了局域热动平衡近似下的Fe,Br等离子体的辐射不透明度.对AA模型中跃迁系的跃迁能量引入了统计修正，修正后的谱线位置与细致谱项模型的结果更接近，但仍然存在差距，进一步减小这种差距需要考虑等离子体的价态分布.研究了AA模型中这种谱线位置移动对平均不透明度的影响，计算了Fe等离子体等温度系列的平均不透明度，发现这种修正对于平均不透明度的影响是比较明显的.     

The Non—local Thermodynamical Equilibrium Effects on Opacity

Based on the detailed configuration accounting(DCA) model,a method is developed to include the resonant photoionization and the excitation-autoionization in the non-local thermodynamical equilibrium (NLTE) average atom (AA) model.Using this new model,the mean charge states and the opacity are calculated for NLTE high-Z plasmas and compared with other results.The agreement with AA model is poor at low electron density.The present results agree well with those of DCA model within 10%.The calculations show that the NLTE effects on opacity are strong.     

金等离子体平均离化度随电子温度变化关系的研究

用Cowan的原子结构从头算程序和自旋轨道劈裂阵模型计算各阶电离的金离子能级和跃迁， 在碰撞辐射模型下求解能级布居数方程，计算给定等离子体密度和电子温度下等离子体中离子的分布，给出了平均离化度随电子温度的变化关系.发现稀薄的金等离子体中，在一定的电子温度范围内电子温度的升高平均电离度反而下降的反常现象.讨论了电离势对平均离化度的影响. 关键词： 金等离子体 碰撞辐射模型 布居数 平均电离度     

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利用l能级分裂的屏蔽氢模型(SHML)，计算了不同混合比例的Au-Gd混合物在温度为250eV、密度为1g•cm–3的Rosseland平均不透明度。计算值与实验值和理论值吻合得较好。     

Ne、Ar、Kr、Xe等离子体Planck和Rosseland平均不透明度的近似计算

根据平均原子模型和类氢光吸收系数，近似地计算了Ne、Ar、Kr、Xe等惰性元素高温、高密度等离子体的Planck和Rosseland不透明度。在计算线谱吸收过程中，采用了唯象方法处理线谱演化成谱带时的加宽效应及谱带重叠效应。将不透明度数据拟合成温度和密度的幂函数形式，它能够用于辐射体的数值拟合。     

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利用考虑l能级分裂的屏蔽氢离子模型(SHML),计算高温(T=200~300eV)、高密度(ρ=1g.cm-3)下纯元素Au、Ho、Gd、Sm、Nd、Sn、Ag的Rosseland平均不透明度,以及Au与这些元素混合后的Rosseland平均不透明度,其结果与DCA/UTA及STA模型计算结果吻合较好。     

电子传导不透明度计算

基于含温有界相对论Dirac自洽场原子模型,采用电子-离子散射机制,在Born近似下,计算了部分离化等离子体物质的电子传导不透明度(Electron Conductive Opacity)。以铯(Cs)为例,同他人结果作了比较,给出钛(Ti)元素温度kT=10～10~3eV,密度ρ=0.1ρ_0～10ρ_0范围的电子传导不透明度K_C。     

X-ray spectra of high temperature tungsten plasma calculated with collisional radiative model

Tungsten is regarded as an important candidate of plasma facing material in international thermonuclear experimental reactor （ITER）, so the determination and modeling of spectra of tungsten plasma, especially the spectra at high temperature were intensely focused on recently. In this work, using the atomic structure code of Cowan, a collisional radiative model （CRM） based on the spin-orbit-split-arrays is developed. Based on this model, the charge state distribution of tungsten ions is determined and the soft X-ray spectra from high charged ions of tungsten at different temperatures are calculated. The results show that both the average ionization charge and line positions are well agreed with others calculations and measurements with discrepancies of less than 0.63% and 1.26%, respectively. The spectra at higher temperatures are also reported and the relationship between ion abundance and temperature is predicted in this work.     

Opacities of high temperature highZ plasmas

A procedure is described for computation of opacities for highZ plasmas. Bound-bound, bound-free, free-free and scattering processes are considered. The inputs for these have been obtained by solving IEEOS form of Saha’s equation. Detailed calculations of opacities have been done for tungsten and uranium up to 10 keV of temperature. Preliminary results have been presented at the Nucl. Phys. and Solid State Phys. Symp., Dept. of Atom. Energy, held at Ahmedabad, India (December 1976).     

激光金等离子体的电子离子碰撞电离速率系数

电子离子碰撞电离过程在超组态碰撞辐射(SCROLL)模型中真实模拟非局域热动力学平衡(non-LTE)高Z材料Au激光等离子体M带谱5f-3d跃迁中各种复杂离子的电离态特性,诸如离子的平均电离度和电荷态分布是一个主要过程.基于准相对论扭曲波玻恩交换近似,采用组态平均的方法,从头计算了金M带类铁金离子-类锗金离子的电子离子碰撞电离速率系数,其中电离截面的高能行为由Bethe系数决定.结果表明:在"神光Ⅱ"实验装置诊断的电子温度～2keV,电子密度～6×1021cm-3范围内,这些参数有利于使用超组态碰撞辐射模型拟Au的激光等离子体M带细致谱5f-3d跃迁的平均电离度和电荷态分布.     

Calculation of the radiative opacity of laser-produced plasmas using a relativistic-screened hydrogenic model

In this work, we use a relativistic-screened hydrogenic model to compute the radiative opacity of laser-produced plasmas. The model is based on a set of screening charges which allow one to easily calculate atomic properties of isolated ions. These screened charges have been fitted to a fourth-order polynomial depending on the nuclear charge Z for ground and single excited states of ions belonging to the isoelectronic sequences comprised between He-like to U-like. In the opacity model used, ionic populations are obtained by solving the Saha equation including degeneracy corrections. Bound-bound transitions are determined using a Voigt profile for line shape, which includes natural, collisional, Doppler and UTA widths. Bound-free and free-free opacities are evaluated using the Kramer cross-sections with appropriate corrections. Scattering processes are computed through the use of the Thomson formula with corrections. The results are compared with other screened hydrogenic models and more sophisticated self-consistent codes.     

直接驱动柱内爆流体力学不稳定性数值模拟

 给出了LARED-S程序对直接驱动柱内爆流体力学不稳定性模拟的物理方程，介绍了一种直接驱动柱内爆靶的结构，给出了模拟中使用活动网格追踪和其他一些需要注意的问题。对OMEGA激光器直接驱动柱内爆实验物理模型进行了简化处理：使用理想气体状态方程，假设烧蚀层、标识层和内部填充材料为同一介质，只在密度上有差别；采用全电离和单温近似，在内爆过程中仅考虑热传导过程而忽略辐射和非局域电子热传导等过程的影响。模拟结果表明：LARED-S程序与LASNEX程序的计算结果基本上符合。     

Au激光等离子体X射线发射光谱的理论研究

采用细致组态(detailed configuration accounting,DCA)方法和碰撞辐射模型(collisional radiative equilibriummodel),Cowan的相对论的原子结构理论程序,选取与初、末离子组态有关的平均组态,取Hartree-Fock-Slater自洽势,考虑了非局域热动力学平衡条件下等离子体的主要原子动力学过程,建立了描述等离子体中碰撞辐射模型的离子布居和能级布居的速率方程,得到了Au元素的离子分布和能级分布,电荷态分布和平均电离度,并模拟出Au激光等离子体的5f-3d跃迁的X射线发射光谱的谱线强度,计算得出的谱线强度与实验数据相比符合得较好.     

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利用分裂的屏蔽氢不透明度模型计算了Ar、Kr、Xe惰性元素混合物随光子能量变化的不透明度以及Rosseland平均不透明度。研究了温度为100～250eV,密度为0.5～2g·cm-3范围内惰性元素混合物的Rosseland平均不透明度与混合物质、混合比例、温度和密度的密切关系。结果显示,Ar-Xe混合以及Xe-Kr混合后的Rosseland平均不透明度比它们为纯元素时有较大的增加;而Ar-Kr混合后的Rosseland平均不透明度则比纯Kr低。通过对比纯惰性元素随光子能量变化的不透明度峰、谷值,分析了造成混合后不透明度增加或降低的原因,同时给出了获得惰性元素混合物平均不透明度为最大时的混合比例。     

Radiative opacity of plasmas studied by detailed term (level) accounting approaches

Detailed term and level accounting (DTA and DLA) schemes have been developed to calculate the spectrally resolved and Rosseland and Planck mean opacities of plasmas in local thermodynamic equilibrium. Various physical effects, such as configuration interaction effect (including core-valence electron correlations effect and relativistic effect), detailed line width effect (including the line saturation effect), etc., on the opacity of plasmas have been investigated in detail. Some of these physical effects are less capable or even impossible to be taken into account by statistical models such as unresolved transition arrays, super-transition-array or average atom models. Our detailed model can obtain accurate opacity of plasmas. Using this model, we have systematically investigated the radiative opacities of low, medium and high-Z plasmas under different conditions of temperature and density. For example, for aluminum plasma, in the X-ray region, we demonstrated the effects of autoionization resonance broadening on the opacity for the first time. Furthermore, the relativistic effects play an important role on the opacity as well. Our results are in good agreement with other theoretical ones although better agreement can be obtained after the effects of autoionization resonance broadening and relativity have been considered. Our results also show that the modelling of the opacity is very complicated, since too many physical effects influence the accuracy of opacity. For medium and high-Z plasmas, however, there are systematic discrepancies unexplained so far between the theoretical and experimental opacities. Here, the theoretical opacities are mainly obtained by statistical models. To clarify the discrepancies, efforts from both sides are needed. From the view-point of theory, however, a DLA method, in which various physical effects can be taken into account, should be useful in resolving the difference. Taking gold plasma as an example, we studied in detail the effects of core-valence electron correlation and line width on the opacity. Our DLA results correctly explained, for the first time, the relative intensity of the two strong absorption peaks located near the photon energy of 70 and 80 eV, which was experimentally observed by Eidmann et al. [Europhys. Lett., 1998, 44: 459].     

Au激光等离子体的双电子复合速率系数

基于准相对论多组态HartreeFock理论和扭曲波近似,采用组态平均的方法,从头计算了类铁金离子类镓金离子的双电子复合速率系数,计算中包含了大量稠密的自电离能级,由于宽广的自电离能级分布和极其复杂的级联效应,造成高Z材料Au的双电子复合速率系数不同于低Z元素的特征,与现有文献的类镍金离子比较,结果表明,在“神光Ⅱ”实验装置诊断的电子温度约为2keV,电子密度约为6×1021cm-3,Au激光等离子体不同理论之间的双电子复合速率系数误差不到10%.这对于使用超组态碰撞辐射模型模拟Au的激光等离子体M带细致 关键词： 双电子复合 类铁金离子类镓金离子 复合速率系数     

Ro-vibrational spectra of C2H2 based on variational nuclear motion calculations

A published ab initio-based potential energy surface and newly constructed dipole moment surface of acetylene have been used to compute vibrational band intensities. The line intensity calculations employed the variational nuclear motion code WAVR4 for computation of wave functions and energy levels, and a newly developed code DIPOLE4 for computation of dipole transitions. Owing to the high computational cost of J > 0 transitions using direct variational methods only J = 0 and J = 1 states and transitions have been computed variationally. The intensities of J > 1 transitions were extrapolated from J = 0 and J = 1 using Hönl–London coefficients. The resulting effective rotational constants B and transition intensities are compared with experimental data for the (3ν₄ + ν₅) combination band, the ν₃ and the ν₅ fundamental band. The prospects of using this procedure for extensive calculations of a hot line list, important for cool stars and extrasolar planets are discussed.     

Measurement of the charge state distribution of field evaporated ions: Evidence for post-ionization

Charge state distributions of field evaporated Si, Ni, Mo, Rh, W, Re, Ir and Pt ions have been measured as a function of electric field strength using the pulsed laser atom-probe. The results are compared to previously published theoretical calculations based on the post-ionization model of field evaporation. The agreement between theory and experiment is sufficient to establish the general validity of the post-ionization model. Measurements of the charge state distributions as a function of evaporation rate at constant temperature (increasing field) and constant field (increasing temperature) are also presented for W, Mo and Si. The observation that the fractional abundances of different charge states for the same material do not change with changing temperature indicates that the activation energies of desorption are the same for the different charge states and provides further support for the post-ionization model. The anomalous field evaporation behavior observed at high temperatures (e.g., desorption from localized areas on the surface and the occurrence of ionic clusters) is also discussed.     

Opacity Calculations for Dense Plasmas

A code has been developed for calculating opacities of hot dense plasmas. This uses the average atom model to calculate the frequency dependent opacities with contributions from bound‐bound, bound‐free, free‐free and scattering processes. In this paper, we report work in three areas. Firstly, we present the enhanced absorption found in certain photon energy regions with the use of screening coefficients with l‐splitting in comparison to those obtained without l‐splitting. Secondly, we have generalized the code to allow mixture of elements, albeit without molecular effects. Thirdly, we compare our code results with other codes and experimental data.     

Relative Distribution of Au48 ～ Au52 in Au Plasma by Ionization Dynamics

The present work proposes a theoretical method called ionization dynamics to derive the ionic charge state distribution. Using relativistic quantum mechanics to calculate the energy level lifetime and average ionic lifetime of each ion, the first-order ionization rate constant can be obtained. Based on these data, from the solution of differential equations for consecutive-irreversible ionization reactions, one will be able to derive the ionic charge state distribution.The calculated average positive charge 49.24 of Au48 ～ Au52 and their relative distribution are in good agreement with the results of Lawrence Livermore National Laboratory.