The effect of configuration complex on dielectronic recombination process in highly ionized plasmas

This paper analyses the effect of configuration complex on dielectronic recombination （DR） process in highly ionized plasmas （Xe^26＋, Dy^38＋, W^46＋） by using the multiconfiguration relativistic Hartree-Fock method. Resonant and nonresonant radiative stabilizing transitions and decays to autoionizing levels followed by radiative cascades are included. Collisional transitions following electron capture are neglected. The remarkable difference between the isoelectronic trend of the rate coefficients for DR through 3d^94l4l′ and through 3d^94l5l′ is emphasized. The trend of DR through 3d^94l4l′ shows irregularities at relatively low temperature due to the progressive closing of DR channels as atomic number Z increases.     

The dielectronic recombination process in laser-produced Au plasmas

The calculations of the rate coefficients for dielectronic recombination (DR) along the NiI isoelectronic sequence in the ground state Au^{51+} through Cu-like 3d^9nln′f (n,n′=4,5,6) inner-shell excited configurations are performed using the spin-orbit-split array (SOSA) model. Resonant and nonresonant radiative stabilizing transitions and decays to autoionizing levels followed by radiative cascades are included. Collisional transitions following electron capture are neglected. The trend of the DR rate coefficients and the ratio of dielectronic satellite lines intensities with the change of the electron temperature are discussed.     

Effects of Configuration Interaction on Dielectronic Recombination of Cu-Like Gold Ion through 3d+ e →4l''l'''' Capture Process

Effects of configuration interaction on dielectronic recombination of Cu-fike gold ions through the 3d ＋ e→4l′4l″ capture process are studied in the models of isolated configurations approximation, configuration mixing within 3d^94s4l′4″, and configuration mixing within 3d^94l4l′4l″ （l≥ 0）, employing a relativistic distorted-wave approximation. Nonresonant raditive stabilizing transitions and decays to autoionizing levels followed by radiative cascades, as well as resonant stabilizing transitions from the resonant levels, are taken into account. The additional mixing with 3d^94l4l′4l″ （0 〈 l 〈 l′ 〈l″≤ 3） shifts slightly the peaks of cross section towards low energy. The rate coefficient at low temperature is dramatically changed. The rate coefficient at temperature above 100 eV is enhanced by a factor between 26% and 13%.     

Dielectronic recombination rate coefficient for Cu-like Au^50＋ ion

The rate coefficients α^{DR} of dielectronic recombination (DR) for Cu-like Au^{50+} ion collided with the incident free electron are calculated based on the quasi-relativistic multi-configuration Hartree－Fock theory. The results clearly show that the α^{DR} of all recombination channels exhibits resonance characters with electron temperature. At lower temperatures, the recombination for electrons caused by 4s excitation is dominant through outer electron radiative transitions among the intermediate doubly excited autoionizing levels, in which the most components come from 3d^{10}5pns states, whereas with increasing electron temperature, DR caused by 3d excitation turns out to be dominant, and the contribution from the 3d^94s4fnf state to the total rate coefficient of electron 3d is the largest with α^{DR}=1.15×10^{- 11} cm^3·s^{-1} at an electron temperature of T_e=0.35 keV. Under this condition, there exists a strong competition between the two types of recombination channels.     

Resonance Excitation Rate Coefficient of Ni-Like Tantalum

The ab initio calculations of electron-impact resonant excitation rate coefficients from the ground level to 54 fine-structure levels of 3d94l （1 = s, p, d, f） configurations of Ni-like tantalum ion are performed by using a fully relativistic distorted-wave approximation. The configuration-interaction effects are taken into account. The decays to autoionizing levels possibly followed by autoionization cascades are also included in the calculation. The contributions from doubly-excited intermediate states of Cu-like 31^17n′l′n′l″ （n′ = 4, 5; n″ = 5 - 15） are calculated explicitly, and the contributions from high Rydberg states （n″〉 15） are taken into account by using n-3 scaling law. The present results should be more accurate than the existent calculations.     

Dielectronic recombination of Co-like tantalum

Ab initio calculation of the total dielectronic recombination (DR) rate coefficient from the ground state of Co-like tantalum is performed using the relativistic distorted-wave approximation with configuration interaction. The contributions to the total DR rate coefficients are explicitly calculated from the complexes of Ni-like tantalum: 3s²3p⁶3d_3/2³ 3d_5/2⁶ n'l', 3s²3p⁵3d¹⁰n'l', 3s3p⁶3d¹⁰n'l', 3s²3p⁶3d⁸4ln'l', 3s²3p⁵3d⁹4ln'l' and 3s3p⁶3d⁹4ln'l' with n' ≤ 25, and 3s²3p⁶3d⁸5ln'l' with n' ≤ 9. The l' and n' dependences of partial DR rate coefficients are investigated. The contributions from higher n'complexes are evaluated by a level-by-level extrapolation method. The total DR rate coefficients mainly come from the complex series 3s²3p⁶3d⁸4ln'l', 3s²3p⁵3d⁹4ln'l' and are fitted to an empirical formula with high accuracy. Comparison of the present results with those of other works shows that the previously published data underestimate significantly the DR rates of Co-like tantalum.     

Re30+离子双电子复合速率系数的理论研究

复杂结构离子的双电子复合速率系数在极紫外光刻光源、核聚变等应用研究的等离子体光谱模拟和诊断中具有重要的应用价值。利用全相对论组态相互作用方法,详细计算了基组态为4p64d9的Re30+离子经双激发态（4p64d9）-1nln'l'（n=4~6,n'=4~23）的双电子复合（DR）过程。研究分析了激发、辐射通道,组态相互作用,级联退激对DR速率系数的影响。其中内壳层4p电子激发的DR速率系数是总DR速率系数的28.2%~44.9%,所以内壳层4p电子激发的贡献不可以忽略。级联退激对DR速率系数的最大贡献为12.9%,也必须要予以考虑。通过对双电子复合、辐射复合、以及三体复合速率系数的比较,辐射复合速率系数的最大值为DR速率系数的22.6%,三体复合速率系数的最大值仅为DR速率系数的0.3%。因此,DR速率系数远远大于辐射复合和三体复合速率系数。该结果表明DR过程对于等离子体离化态分布、能级布居以及光谱模拟都极为重要。为了方便应用,对基态和第一激发态的总DR速率系数进行了参数拟合。该研究结果将为Re激光等离子体的光谱模拟及复杂结构离子DR过程的进一步研究提供参考。Dielectronic recombination (DR) rate coefficients of complex ions are very important in some application research, such as extreme ultraviolet lithography and nuclear fusion. Based on the fully relativistic configuration interaction method, theoretical calculations are carried out to research the DR processes, in which Re30+ ions in the ground state 4p64d9 to (4p64d9)-1nln'l'(n=4~6, n'=4~23). Influence of excitation and radiation channels, configuration interaction, the effect of decays to autoionizing levels possibly followed by radiative cascades (DAC) are analyzed. The contributions through 4p subshell excitations to the total rate coefficient are 28.2%~44.9% in the whole temperature region. Hence the contributions from inner-shell electron excitation are very important. The contributions from the DAC transitions increase smoothly with the increasing temperature and are about 12.9% at 50 000 eV. The contributions of DAC can not be neglected. By means of compared total DR rate coefficients to radiative recombination rate coefficients and three-body recombination rate coefficients, it shows that the maximum value of the radiation recombination rate coefficient is 22.6% of the DR rate coefficient and the maximum value of the three-body recombination rate coefficient is only 0.3% of the DR rate coefficient. The total DR rate coefficient is greater than either the radiative recombination or three-body recombination coefficients in the whole temperature range. The corresponding DR process is very important for plasma ionization distribution, population level and spectrum simulation. In addition to facilitate the application, the total DR rate coefficients for the ground state and the first excited state are fitted to an empirical formula. These results will provide the reference for the further analyses of rhenium laser plasma spectrum simulation and the complex structures ions DR process.     

W44+ 离子双电子复合速率系数的理论研究

利用全相对论组态相互作用方法,详细研究了W44+ 离子从基组态3s23p63d104s2俘获一个电子形成双激发态(3s23p63d104s2)nln′l′(n = 4 ~ 6,n′= 4 ~7) 的双电子复合(DR) 过程。通过比较不同壳层电子激发的DR 速率系数,得知4s 电子激发和3d 电子激发的DR 速率系数分别在低温和中高温度时给出了主要贡献,得到了主要的电子激发DR通道。在1 eV~50 keV 温度范围内,计算了n = 4~18 的DR速率系数,并外推到了n= 100,得到总DR 速率系数。比较总DR 速率系数、三体复合(TBR) 以及辐射复合(RR) 速率系数,结果表明DR 速率系数在研究的温度范围内远大于TBR 和RR 速率系数,其将明显地影响ITER 等离子体的电离平衡和离化态布居。Based on the fully relativistic configuration interaction method, theoretical calculations are carried out to research the dielectronic recombination (DR) processes, in which W44+ ions in the ground state 3s23p63d104s2 trap an electron to form doubly excited states (3s23p63d104s2)nln’l’(n =4~6,n′= 4~7). The comparison of the DR rate coefficients of different shells shows that DR approach is as follow: the 4s subshell excitation dominates to DR at low temperature, but 3d subshell excitation attributes to DR at high temperature. Total DR rate coefficients from n=4~18 are evaluated directly, and the results are extrapolated up to n = 100 in the temperature range from 1 to 5×104 eV, and thus get the total DR rate coefficients. Compared total DR rate coefficients to three-body recombination (TBR) rate coefficients and radiative recombination (RR) rate coefficients, it showed that the total DR rate coefficients obviously significantly greater than other two recombination rate coefficients, and thus it obviously influence ionization equilibrium and ionization state population of ITER plasma.     

Nonradiative charge transfer in collisions of protons with rubidium atoms

The nonradiative charge-transfer cross sections for protons colliding with Rb(5s) atoms are calculated by using the quantum-mechanical molecularorbital close-coupling method in an energy range of 10 3 keV-10 keV.The total and state-selective charge-transfer cross sections are in good agreement with the experimental data in the relatively low energy region.The importance of rotational coupling for chargetransfer process is stressed.Compared with the radiative charge-transfer process,nonradiative charge transfer is a dominant mechanism at energies above 15 eV.The resonance structures of state-selective charge-transfer cross sections arising from the competition among channels are analysed in detail.The radiative and nonradiative charge-transfer rate coefficients from low to high temperature are presented.     

DIELECTRONIC RECOMBINATION OF Co-LIKE Ag AND Ta IONS

Ab initio calculations of the rate coefficients for dielectronic recombination (DR) of Co-like Ag and Ta ions are performed based on Cowan's quasi-relativistic multi-configuration Hartree－Fock code. Co-like (3s ²3p⁶3d¹⁰)^-1 configurations and Ni-like (3s²3p⁶3d¹⁰)^-24l4l' autoionization configurations are included in the present calculation. Because of the extensive distribution of autoionization state energy levels, the DR rate coefficients cannot be reproduced or interpolated by a simple analytical formula, such as the Burgess－Merts formula, or the Hagelstein approximation. We propose to use multi-set Hagelstein parameters, which is convenient in practice and can reproduce well the ab initio calculated DR rate coefficients.     

Enhancement of electron–ion recombination rates at low energy range in the heavy ion storage ring CSRm

Recombination of Ar¹⁴⁺, Ar¹⁵⁺, Ca¹⁶⁺, and Ni¹⁹⁺ ions with electrons has been investigated at low energy range based on the merged-beam method at the main cooler storage ring CSRm in the Institute of Modern Physics, Lanzhou,China. For each ion, the absolute recombination rate coefficients have been measured with electron–ion collision energies from 0 meV to 1000 meV which include the radiative recombination(RR) and also dielectronic recombination(DR)processes. In order to interpret the measured results, RR cross sections were obtained from a modified version of the semiclassical Bethe and Salpeter formula for hydrogenic ions. DR cross sections were calculated by a relativistic configuration interaction method using the flexible atomic code(FAC) and AUTOSTRUCTURE code in this energy range. The calculated RR + DR rate coefficients show a good agreement with the measured value at the collision energy above 100 meV.However, large discrepancies have been found at low energy range especially below 10 meV, and the experimental results show a strong enhancement relative to the theoretical RR rate coefficients. For the electron–ion collision energy below 1 meV, it was found that the experimentally observed recombination rates are higher than the theoretically predicted and fitted rates by a factor of 1.5 to 3.9. The strong dependence of RR rate coefficient enhancement on the charge state of the ions has been found with the scaling rule of q^3.0, reproducing the low-energy recombination enhancement effects found in other previous experiments.     

Electron impact excitation rate coefficients of N II ion

This paper calculates the electron impact excitation rate coefficients from the ground term 2s²2p^{2 3}P to the excited terms of the 2s²2p², 2s2p³, 2s²2p3s, 2s²2p3p, and 2s²2p3d configurations of N II. In the calculations, multiconfiguration Dirac--Fork wave functions have been applied to describe the target-ion states and relativistic distorted-wave calculation has been performed to generate fine-structure collision strengths. The collision strengths are then averaged over a Maxwellian distribution of electron velocities in order to generate the effective collision strengths. The calculated rate coefficients are compared with available experimental and theoretical data, and some good agreements are found for the outer shell electron excitations. But for the inner shell electron excitations there are still some differences between the present calculations and available experiments.     

Theoretical Study on the Spectroscopic Parameters and Transition Properties of MgH Radical Including Spin-orbit Coupling

An accurate theoretical study on the MgH radical is reported by adopting the high-level relativistic MRCI+Q method with a quintuple-zeta quality basis set.The reliable potential energy curves of the five AS states of MgH are derived.Then the associated spectroscopic parameters are determined and found to be in good accordance with the available experimental results.The permanent dipole moments(PDMs) and the spin-orbit(SO) matrix elements of A-S states are computed.The results show that the abrupt changes of PDMs and SO matrix elements are attributed to the variations of electronic configurations at the avoided crossing point.The SOC effect leads to the five AS states split into ten Ω states and results in the double potential well of(2)1/2 state.Finally,the transition properties from the(2)1/2,(1)3/2 and(3)1/2 states to the ground state X~2 Σ+1/2 transitions are obtained,including the transition dipole moments,Franck-Condon factors and radiative lifetimes.     

Dielectronic Recombination of Sn^10＋ Ions and Related Satellite Spectra

Based on the multi-configuration Dirac-Fock method, theoretical calculations are carried out for the dielectronic recombination （DR） rate coefficients and the collision excitation rate coefficients of Sn^10＋ ions. It is found that the total DR rate coefficient has its maximum value between 10eV and 100eV and is greater than either the radiative recombination or three-body recombination rate coefficients （the number of free electrons per unit is 10^21 cm^3） for the ease of Te 〉 1 eV. Therefore, DR can strongly influence the ionization balance of laser produced multi-charged tin ions. The related dieleetronie satellite cannot be ignored at low temperature Te 〈 5 eV.     

Thermal Expansion of Ni_3A1 Intermetallic Compound:Experiment and Simulation

The thermal expansion of Ni_3Al intermetallic compound is determined by a thermal dilatometer and simulated by the molecular dynamics method.The results of the linear thermal expansion coefficients are presented from200 K up to the maximum temperature of 1600 K.The single phase of Ni_3Al intermetallic compound is confirmed by x-ray diffraction together with DSC melting and solidification peaks,from which the solidus and the liquidus temperatures are obtained to be 1660 and 1695 K,respectively.The measured linear thermal expansion coefficient increases from 1.5×10~(-5) to 2.7×10~(-5) K~(-1) in the experimental temperature range,in good agreement with the data obtained by the molecular dynamics simulation,just a slight difference from the temperature dependence coefficient.Furthermore,the atomic structure and position are presented to reveal the atom distribution change during thermal expansion of Ni_3Al compound.     

Xe8+离子双电子复合速率系数的理论研究

利用基于全相对论组态相互作用理论的FAC程序包, 详细研究了温度在0.1~1650 eV范围内Xe8+离子的双电子复合(DR)过程。 通过比较4s, 4p和4d壳层电子激发的双电子复合速率系数, 发现温度在10 eV以上时, 内壳层4p电子激发的双电子复合速率数对总双电子复合速率系数有很重要的贡献, 而4s电子激发对总双电子复合速率数贡献小于7.5%。 给出了△n=0, 1和2 三类芯激发对总双电子复合速率系数的贡献以及自由电子俘获到不同主量子数的双电子复合速率系数, 发现△n=2的芯激发和n′＞15的DR速率系数对总DR速率系数的贡献也很重要。 进一步给出了△n=0, 1和2 三类芯激发和总DR速率系数的拟合参数, 拟合结果和计算值符合, 偏差小于1%。 通过对双电子复合、 辐射复合以及三体复合速率系数的比较得知, 在温度高于1 eV时, DR过程是Xe8+离子的主要复合过程。Based on the fully relativistic configuration interaction method, theoretical calculations are carried out for the dielectronic recombination (DR) rate coefficients of Xe8+ ions in the temperature region from 0.1 to 1 650 eV. The comparison of the DR rate coefficients from 4s, 4p and 4d subshell excitations shows that 4d subshell excitation dominates in the whole temperature region. The contribution from 4p subshell excitation is very important at temperature above 10 eV and the contributions from 4s subshell excitation is lower than 7.5% in the whole temperature region. Similarly, the comparison of the DR rate coefficients through △n=0, 1 and 2 core excitation shows that the contribution from △n=2 core excitation can not be neglected, the contributions from n′＞15 can also not be neglected. The DR rate coefficients of △n=0, 1 and 2 core excitation and the total DR rate coefficients are fitted with some parameters, which are in good agreement with theoretical calculations values (within 1% difference). The total DR rate coefficients are greater than radiative recombination (RR) and three body recombination (TBR) rate coefficients at temperature above 1 eV. Therefore, the DR process can strongly influence the ionization balance of laser produced xenon plasmas.     

Effects of clouds, sea surface temperature, and its diurnal variation on precipitation efficiency

The effects of clouds, sea surface temperature, and its diurnal variation on precipitation efficiency are investigated using grid-scale data from nine equilibrium sensitivity cloud-resolving model experiments driven without large-scale vertical velocity. The precipitation efficiencies are respectively defined in surface rainfall, cloud, and rain microphysical budgets. We mathematically and physically demonstrate the relationship between these precipitation efficiencies. The 2℃ increases in spatiotemporal invariant sea surface temperature (SST) from 27℃ to 29℃ and from 29℃ to 31℃, and the inclusion of diurnal SST difference 1℃ and the 1℃ increase in diurnal SST difference generate opposite changes in the precipitation efficiency by changing ice cloud-radiation interactions. The radiative and microphysical processes of ice clouds have opposite effects on the precipitation efficiency because of the rainfall increase associated with the reduction in the saturation mixing ratio caused by the exclusion of radiative effects and the decrease in rainfall related to the reduction in net condensation caused by the exclusion of deposition processes. The radiative effects of water clouds on the precipitation efficiency are statistically insensitive to the radiative effects of ice clouds.     

Rotating polarizer,compensator, and analyzer ellipsometry

In this paper we propose theoretically a set of ellipsometric configurations using a rotating polarizer, compensator, and analyzer at a speed ratio of N1ω：N2ω：N3ω. Different ellipsometric configurations can be obtained by giving different integral values to N1, N2, and N3. All configurations are applied to bulk c-Si and GaAs to calculate the real and imaginary parts of the refractive index of the samples. The accuracies of all ellipsometric configurations are investigated in the presence of a hypothetical noise and with small misalignments of the optical elements. Moreover, the uncertainties in the ellipsometric parameters as functions of the uncertainties of the Fourier coefficients are studied. The comparison among different configurations reveals that the rotating compensator–analyzer configuration corresponds to the minimum error in the calculated optical parameters.     

Ellipsometric configurations using a phase retarder and a rotating polarizer and analyzer at any speed ratio

In this paper,we propose an ellipsometer using a phase retarder and rotating polarizer and analyzer at a speed ratio 1:N.Different ellipsometric configurations are presented by assuming N = 1,2,and 3.Moreover,two values of the offset angle of the retarder are considered for each ellipsometric configuration.The Mueller formalism is employed to extract the Stokes parameters,from which the intensity received by the detector is obtained.The optical properties of c-Si are calculated using all configurations.A comparison between different configurations is carried out considering the effect of the noise on the results and the uncertainties in the ellipsometric parameters as functions of the uncertainties of the Fourier coefficients.It is found that the alignment of the phase retarder has a crucial impact on the results and the ellipsometric configuration with speed ratio 1:1 is preferred over the other configurations.     

Effects of sea surface temperature, cloud radiative and microphysical processes, and diurnal variations on rainfall in equilibrium cloud-resolving model simulations

The effects of sea surface temperature(SST),cloud radiative and microphysical processes,and diurnal variations on rainfall statistics are documented with grid data from the two-dimensional equilibrium cloud-resolving model simulations.For a rain rate of higher than 3 mm.h 1,water vapor convergence prevails.The rainfall amount decreases with the decrease of SST from 29℃ to 27℃,the inclusion of diurnal variation of SST,or the exclusion of microphysical effects of ice clouds and radiative effects of water clouds,which are primarily associated with the decreases in water vapor convergence.However,the amount of rainfall increases with the increase of SST from 29℃ to 31℃,the exclusion of diurnal variation of solar zenith angle,and the exclusion of the radiative effects of ice clouds,which are primarily related to increases in water vapor convergence.For a rain rate of less than 3 mm.h 1,water vapor divergence prevails.Unlike rainfall statistics for rain rates of higher than 3 mm.h 1,the decrease of SST from 29℃ to 27℃ and the exclusion of radiative effects of water clouds in the presence of radiative effects of ice clouds increase the rainfall amount,which corresponds to the suppression in water vapor divergence.The exclusion of microphysical effects of ice clouds decreases the amount of rainfall,which corresponds to the enhancement in water vapor divergence.The amount of rainfall is less sensitive to the increase of SST from 29℃ to 31℃ and to the radiative effects of water clouds in the absence of the radiative effects of ice clouds.