Ab-initio modeling of an iron laser-induced plasma: Comparison between theoretical and experimental atomic emission spectra

作者：Colgan J^*; Judge E J; Kilcrease D P; Barefield J E II

来源：Spectrochimica Acta Part B: Atomic Spectroscopy , 2014, 97: 65-73.

DOI：10.1016/j.sab.2014.04.015

• LIBS
• atomic physics
• LIE kinetics modeling

We report on efforts to model the Fe emission spectrum generated from laser-induced breakdown spectroscopy (LIBS) measurements on samples of pure iron oxide (Fe2O3). Our modeling efforts consist of several components. We begin with ab-initio atomic structure calculations performed by solving the Hartree-Fock equations for the neutral and singly ionized stages of Fe. Our energy levels are then adjusted to their experimentally known values. The atomic transition probabilities and atomic collision quantities are also computed in an ab-initio manner. We perform LTE or non-LTE calculations that generate level populations and, subsequently, an emission spectrum for the iron plasma for a range of electron temperatures and electron densities. Such calculations are then compared to the experimental spectrum. We regard our work as a preliminary modeling effort that ultimately strives towards the modeling of emission spectra from even more complex samples where less atomic data are available.

• 出版日期2014-7-1
• 单位Los Alamos