含温有界原子理论体系下电子状态方程不确定度的量化计算

Uncertainty Quantification of Electron EOS in Temperature-and-Density Dependent Atomic System

  • 摘要: 通过含温有界原子模型,给出基于35种交换关联势形式,计算等离子体电子状态方程不确定度的方法.设计一种快速粗估不确定度的方法,并在TF模型中进行检验.以金为例,计算温度从1.0 eV~10 000.0 eV、密度为1.0、10.0、100.0 g·cm-3的电子总能量、压强、离化度的不确定度和拟真值.计算结果可为工程设计提供参考.

     

    Abstract: By using temperature-and-density dependent atomic models, a method for uncertainty of electron EOS of plasmas is described via 35 functional exchange-correlation potentials. A fast method for roughly evaluating uncertainty is designed, and checked in Thomas-Fermi model. Taking gold as an example, calculations of uncertainties of total inner energy, electron pressure and ionization degree, with their 'quasi true value', are carried out in the range of temperatures from 1.0 to 10 000.0 eV with three densities 1.0, 10.0, 100.0 g·cm-3, respectively. The results can be applied in engineering design.

     

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