Instituto de Física del Sur (IFISUR), Departamento de Física, Universidad Nacional del Sur (UNS), CONICET, Av. L. N. Alem 1253, B8000CPB-Bahía Blanca, Argentina. Author to whom any correspondence should be addressed.
Phys Med Biol. 2019 Oct 21;64(20):205020. doi: 10.1088/1361-6560/ab41db.
Collisional ionization processes involving HO molecules and C, O, Si ions are studied by means of the classical trajectory Monte Carlo method using molecular orbital calculations to define the ionization stages of the water molecule. Net total and single-differential cross sections in energy and angle are obtained by using a newly developed model that goes beyond the commonly applied one-active electron approximation. This model allows us to access the fraction of electron emission arising from single and multiple electron ionization. Calculated cross sections are contrasted and benchmarked against available experimental data at impact energies in the MeV/u range. The present results highlight the important role of multiple ionization in the emission of electrons where we find the majority of electrons emitted with energies greater than ~50 eV arise from multiple ionization collisions.
通过经典轨迹蒙特卡罗方法研究了涉及 HO 分子和 C、O、Si 离子的碰撞电离过程，该方法使用分子轨道计算来定义水分子的电离阶段。通过使用新开发的模型获得了净总截面和能量和角度的单微分截面，该模型超越了常用的单活性电子近似。该模型使我们能够获得源自单电子和多电子电离的电子发射分数。将计算出的截面与可用的实验数据进行对比，并在 MeV/u 范围内的冲击能进行基准测试。目前的结果突出了多电离在电子发射中的重要作用，我们发现大多数能量大于~50 eV 的电子是由多电离碰撞发射的。
