Abstract

Aiming at the requirement of the on-line detailed atomic model in radiation hydrodynamic simulations, we propose a general model, multi-average ion collisional-radiative model (MAICRM), to rapidly simulate the ionization and charge state distribution of hot dense plasma under non-local thermal equilibrium (NLTE) conditions. In this model, an average ion is used to characterize the features of all the atomic states at one single charge state, including the average orbital occupation and the total population of the atomic states. The rate equations for the orbital occupations and the population are derived from the rate equations of the detailed configurations and separated into two sets under the two assumptions: one is the single orbital rate coefficients (including no occupation nor hole number of the relative orbital) that are only dependent on the charge state, and the other is the coupling of the excitation/de-excitation process and ionization/recombination process, which are weak. Namely, the orbital occupation of an average ion is mainly determined by the excitation/de-excitation process under a certain density and temperature; the population of the average ions is determined by the ionization/recombination process with the fixed orbital occupation. The two sets of rate equations are solved sequentially and iteratively until a set of converged orbital occupation and population values is obtained. The interplay between the occupation and the population is implicit in the excitation/de-excitation rate coefficient and ionization/recombination rate coefficient, each of which is a function of electron density and temperature as well as occupation. In this work, using the newly developed method and codes, the mean ionizations and charge state distributions of Fe, Xe and Au plasmas under different plasma conditions are calculated and in good agreement with the experimental results and DCA/SCA calculations. Meanwhile, compared with the DCA/SCA calculations, in which hundreds or thousands of detailed atomic states at each charge state are considered to obtain a converged ionization balance, MAICRM only considers one kind of ion at one single charge state, thus the computational cost of MAICRM is much reduced and lower than that of DCA/SCA. Due to its good degree of accuracy for ionization balance and its low computational cost, MAICRM is expected to be incorporated into the radiation hydrodynamic program to realize the online calculation of detailed nonequilibrium atomic models in the future.

Highlights

  • Aiming at the requirement of the on-line detailed atomic model in radiation hydrodynamic simulations, we propose a general model, multi-average ion collisional-radiative model (MAICRM), to rapidly simulate the ionization and charge state distribution of hot dense plasma under non-local thermal equilibrium (NLTE) conditions

  • Gu Pei -Jun Wu Ze -Qing (Institute of Applied Physics and Computational Mathematics, Beijing 100094, China) ( Received 19 November 2020; revised manuscript received 4 January 2021 )

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Summary

PΛne ωnΛne

ΩlΛne (gu − ωuΛne )(gi − ωiΛne − δui)REnCe,l→u,i↓. (4) 式即为平均离子 Λne 的布居 PΛne 和轨道占据数 ωnΛne 的速率方程. 在 (4) 式中 ωnΛne 和 PΛne 是耦合的, 很难直接通过 (4) 式求解 PΛne 和 ωnΛne . 考虑到一般. (4) 式即为平均离子 Λne 的布居 PΛne 和轨道占据数 ωnΛne 的速率方程. 通过迭代求解 (5) 式 和 (6) 式 , 可以得到一组收敛的 PΛne 和 ωnΛne . 数, 包括电子温度 (Te)、辐射场温度 (Tr)、离子温 度 (Ti) 和电子密度 (Ne), 计算激发/退激发速率系 数 RE/D ; 第二步, 将激发/退激发速率系数代入 (5) 式, 假设每个离子初始占据数为基态占据, 再 用隐式牛顿迭代法得到每个离子收敛的 ωnΛne ; 第三. 合速率系数并代入 (6) 式, 通过求解线性方程组得 到一组 PΛne ; 第四步, 由离子的布居 PΛne 计算等离 子体的平均离化度 ⟨Z⟩和自由电子密度 Ne; 第五 步, 根据新的 Ne, 重复第一步到第四步; 最后, 当 Ne 的变化小于某一数值 (例如千分之一) 时, 就得 到了一组收敛的 PΛne 和 ωnΛne. 值得注意的是, 虽然 ωnΛne 和 PΛne 分别由 (5) 式 和 (6) 式计算得到, 但是激发/退激发过程和电离/ 复合过程也是相互影响的. 具体地, 激发/退激发 过程通过 ωnΛne 改变电离/复合速率系数 RI/R , 从而. 影响 PΛne 的分布; 电离/辐射过程通过更新电子密 度 Ne 来改变激发/退激发速率系数, 从而影响 ωnΛne . 最后, 将三种模型对比, AA 模型中只有一个 平均离子, 因此 PΛne = 1, 只需求解各轨道的平均 占据数 ωn ; DCA/SCA 模型中, 各选定组态/超组 态的轨道占据数 ωnKne 是确定的, 因此只需求解各. 组态的布居 PKne ; MAICRM 模型中各离子的轨道 占据数 ωnΛne 和布居 PΛne 则都需要通过求解速率方 程得到.

Ionic charge state
Te εul
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