激光金等离子体中Au^49＋能级寿命的相对论多组态计算

根据扩展的相对论多组态Dirac-Fock理论，采用“多功能相对论原子结构程序”，计算了类锌Au^49 的能级寿命、能级宽度和光谱跃迁波长。计算所得的波长值与实验结果符合较好；能级寿命与能级宽度的大小关系符合海森堡的能量与时间测不准原理。     

激光金等离子体中Au52+静态能级寿命的相对论多组态计算

根据扩展的相对论多组态Dirac-Fock理论,采用"多功能相对论原子结构程序(GRASP2)",计算类钴Au52+的能级寿命、能级宽度和光谱跃迁波长,计算所得波长值与实验结果符合较好.能级寿命与能级宽度的大小关系符合海森堡的能量与时间测不准原理.     

金等离子体中Au51+能级寿命的相对论多组态计算

根据扩展的相对论多组态 Dirac-Fock理论,采用"多功能相对论原子结构程序(Grasp2) ",选用二参数Fermi有限核模型计算类镍Au51+ 的能级寿命和能级宽度及光谱跃迁波长、跃迁几率和振子强度,计算所得波长值与实验值符合得很好,能级寿命与能级宽度的大小关系符合海森堡的能量与时间测不准原理.     

激光金等离子体中Au48+离子的光谱分析和能级寿命

根据扩展的全相对论多组态Dirac-Fock理论,采用"多功能相对论原子结构程序GRASP2(General-Purpose Relativistic Atomic Structure Program 2,1992),考虑量子电动力学(QED)效应和Breit修正,结合惯性约束聚变(ICF)实验室等离子体中已经观察到的激光照射Au元素所产生的一些多重电荷态离子的外壳层共振线跃迁光谱,选取重要的电子组态,计算激光金等离子体中类镓Au48+离子的光谱跃迁波长、能级寿命和能级宽度.计算所得波长值与实验值符合较好,能级寿命与能级宽度的大小关系符合海森堡的能量与时间测不准原理.计算结果对金等离子体中的离子平均寿命、电荷态分布和平均电离度的研究具有一定的参考价值.     

类氦离子Cr~(22 ) 精细结构能级和光谱跃迁的相对论多组态计算

采用相对论多组态自洽场方法,计算了类氦Cr22 离子的精细结构能级,能级宽度,激发态寿命和光谱跃迁参数。计算中考虑了核的有限体积效应,Breit修正,QED修正和轨道极化效应。所得结果与文献的实验值和计算值进行了比较     

类氦离子Cr^22＋精细结构能级和光谱跃迁的相对论多组态 …

采用相对论多组态自洽场方法,计算了Ｃｒ＾２２＋离子的精细结构能级,能级宽度,激发态寿命和光谱跃迁参数。计算中考虑了核的有限体积效应,Ｂｒｅｉｔ修正,ＱＣＤ修正和轨道极化效应。所得结果与文献的实验值和计算值进行了比较。     

BrⅩⅩⅥ离子2p~53l组态能级、波长、振子强度计算和微扰修正的贡献

本文分别用相对论多重组态Dirac-Fock最佳化能级(OL)和广义平均能级(EAL)模型计算了BrXXⅥ离子的2p~53l组态能级、辐射跃迁波长、振子强度和作为微扰的Breit、量子电动力学(Q.E.D)修正对能级的贡献。波长计算值与已知实验值符合很好,最大误差为0.17%。     

激光金等离子体中Au47+、Au53+的离子结构和光谱分析

根据扩展的相对论多组态狄拉克-福克（Dirac-Fock）理论,采用“多功能相对论原子结构程序（GRASP^2）”,考虑量子电动力学（QED）效应和布雷特（Breit）修正,选用二参量费米有限核电荷分布和扩展平均能级模型,并考虑组态问的相互作用和电偶极跃迁,计算了类锗Au^47＋、类铁Au^53＋的跃迁波长,跃迁几率和振子强度,计算的波长与实验值符合较好。研究表明,在类锗^47＋、类铁Au^53＋的跃迁中,3d-4f是一条较强的跃迁通道。计算所得的波长值对金等离子体的能级寿命、电荷态分布和平均电离度研究有一定的参考价值。     

类镁离子Mn XIV和Zn XIX的精细结构能级和辐射寿命

 用全相对论多组态自洽场方法，计算了类镁离子Mn XIV和Zn XIX的两百多个精细结构能级和辐射寿命以及各种跃迁参数。结果分析表明，能级的计算值和实验值符合得很好。     

Cr20+、Cu25+和Lr99+离子精细结构能级和辐射寿命的计算

用扩展的全相对论多组态自洽场方法,计算了类铍离子Cr20+、Cu25+和Lr99+的170个精细结构能级和辐射寿命以及其他各种跃迁参数,能级的计算值和实验值符合得很好.     

黏性液体中单个气泡上升的形状特性

采用基于Level Set方法的直接数值模拟技术对黏性液体中单个气泡的上升运动进行三维模拟.数值模拟采用拟单相流模型处理气泡内外的气液两相流动,应用Level Set方法捕捉运动气泡的变形.针对Eo数从O(0)～O(2),Mo数从O(-11)～O(2)的流动范围,重点研究了上升气泡的形状特性,并与经典的气泡形状图谱进行了比较.模拟结果表明,上升气泡的形状与无量纲参数(Eo、Mo和Re)密切相关.在高Re的扁椭球区域,数值发现了气泡形状的周期性振荡行为.     

随机扰动下三维流体界面不稳定性的并行计算

对三维流体界面不稳定性的数值模拟引进了新的数值计算方法,并在MPI并行计算环境下进行了数值模拟.利用LevelSet方法确定界面位置,零水平集对应界面位置.对应离散LevelSet方程和界面两侧的两套Euler方程,借助于Ghost网格方法来完成离散.对最后网格点上的两套状态量的辨认依赖于该点的LevelSet值的符号.并进行了数值计算.     

模拟研究推流式曝气池内横向水流对气泡生成的影响

应用限制项改进Level Set方法的容积守恒性.以改进的Level Set方法,结合ALE数值算法,三维模拟研究了推流式曝气池内横向水流对气泡生成的影响.模拟结果与文献中实验结果定性符合.数值结果显示,曝气池内横向水流对气泡的生成过程有重要的影响:气泡生成的尺寸和时间随着水流速度的增加而减小,随着曝气速度的增加而增加.该研究从流体动力学角度为提高活性污泥法处理效率提供了理论依据.     

Excited-state quantum phase transitions in systems with two degrees of freedom: Level density,level dynamics,thermal properties

Quantum systems with a finite number of freedom degrees f$f$ develop robust singularities in the energy spectrum of excited states as the system’s size increases to infinity. We analyze the general form of these singularities for low f$f$, particularly f=2$f=2$, clarifying the relation to classical stationary points of the corresponding potential. Signatures in the smoothed energy dependence of the quantum state density and in the flow of energy levels with an arbitrary control parameter are described along with the relevant thermodynamical consequences. The general analysis is illustrated with specific examples of excited-state singularities accompanying the first-order quantum phase transition.     

Calculation of the spin-lattice coupling coefficientsG 11 andG 44 for GaP: Fe3+ crystal

Summary A uniform und simple method suitable to alld ⁿ ions is established for the calculation of spin-lattice coupling coefficientsG ₁₁ andG ₄₄ inT _d symmetry. According to the method, the coefficientsG ₁₁ andG ₄₄ for Fe³⁺ ion in GaP crystal have been obtained from the high-order perturbation formulae of zero-field splitting in tetragonal and trigonal fields based on the spin-orbit coupling mechanism. The calculated results show good agreement with the experimental findings. The author of this paper has agreed to not receive the proofs for correction. The project supported by National Natural Science Foundation of China.     

Generation of multiple orientation in an alkali vapour by intermediate optical pumping

Summary The generation of hyperfine, dipole and quadrupole orientations in an alkali vapour by means of optical pumping withD ₁ σ-polarized light is studied in an intermediate pumping approximation. Pumping equations are explicitly given for any alkali vapour in the case of white-light pumping and for cesium vapour (I=7/2) in the case of pumping with nonuniform spectrum light. The dependence of the steady-state multipole orientation on the pumping and relaxation characteristic parameters is discussed.

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Riassunto Si studia la generazione di orientamenti iperfini, dipolari e quadrupolari in vapore alcalino mediante pompaggio ottico con luce σ-polarizzataD ₁ in un'approssimazione di pompaggio intermedio. Le equazioni di pompaggio sono date esplicitamente per ogni vapore alcalino nel caso di pompaggio di luce bianca, e per vapore di cesio (I=7/2) nel caso di pompaggio con luce spettrale non uniforme. Si discute la dipendenza dell'orientazione multipolare dello stato stazionario dal pompaggio e dai parametri caratteristici di rilassamento.

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Резюме Исследуется получение сверхтонких дипольной и квадрупольной ориентации в щелочных парах с помощью накачкиD ₁ σ-поляризованным светом в приближении промежуточной накачки. В явном виде записываются уравнения накачки для любых щелочных паров в случае накачки белым светом, а для паров цезия (I=7/2) в случае накачки светом с неравномерным спектром. Обсуждается зависимость стационарной мультипольной ориентации от накачки и характерных параметров релаксации.

     

Lifetime measurements for some n=2 levels in Be-like S ⅩⅢ

Highly ionized Spectra from sulfur obtained at an energy of 80 MeV have been studied in the 19.0～53.0 nm wavelength range. Radiative lifetimes for some n=2 level in Be+-like S ⅩⅢwere measured using he beam-foil time of flight method. The results, using an arbitrarily normalized decay curves analysis, are compared with theoretical predictions and earlier measurement.     

Magnetic coupling properties of Mn-doped AlN nanowires: First-principles calculations

Based on first-principles within the framework of the density functional theory, we have studied the magnetic coupling properties of Mn-doped AlN nanowires. By analyzing the results of different Mn-doped AlN nanowires, we found that for the passivated nanowire, ferromagnetic state is more stable, while for the unpassivated nanowire, the favorable state transits into anti-ferromagnetic state, which can be well explained by the band coupling model. The results indicate that the degree of surface passivation of dangling bonds is an important factor in the magnetic properties of doped nanowires.