多电荷重离子碰撞生物相关分子净电离的非微扰标度行为
Non-perturbative scaling behavior for net ionization of biologically relevant molecules by multiply-charged heavy-ion impact
摘要：
最近发展的一个模型来描述质子碰撞分子涉及基本原子，如氢，碳，氮，氧和磷（H，C，N，O，P）扩展到处理碰撞与多电荷离子。使用双中心基生成器方法（TC-BGM）计算离子-原子碰撞，该方法具有产生精确的电子捕获和电离总截面的良好记录。原子净电离截面，然后组装两个模型的离子-分子碰撞：一个独立的原子模型（IAM），遵循布拉格加和规则（标记为IAM-AR），也被称为像素计数方法（IAM-PCM）。后者在最大值附近产生相对于IAM-AR减小的截面，因为它考虑了有效截面积的重叠性质。对于更高电荷的射弹的IAM-PCM导致相对于IAM-AR方法的净电离截面的强烈减少，并且直接针对射弹电荷$Q=1, 2, 3$计算。在宽的能量范围$E$内研究了IAM-PCM的标度行为，并且在高的$E$处，它向IAM-AR收敛。建立了一个经验标度规则，允许重现这些结果的基础上质子的影响计算。提供了尿嘧啶靶点（$\rm C_4 H_4 N_2 O_2$）的详细比较，可获得其他理论和实验结果。基于从IAM-PCM数据导出的标度模型，示出了如何由多电荷离子轰击的尿嘧啶和水的实验数据可以分别减少到有效的$Q=1$截面，并将这些与质子撞击数据进行比较。
英文摘要：
A recently developed model to describe proton collisions from molecules involving basic atoms such as hydrogen, carbon, nitrogen, oxygen and phosphorus (H, C, N, O, P) is extended to treat collisions with multiply charged ions. The ion-atom collisions are computed using the two-center basis generator method (TC-BGM), which has a proven track record of yielding accurate total cross sections for electron capture and ionization. The atomic net ionization cross sections are then used to assemble two models for ion-molecule collisions: an independent atom model (IAM) that follows the Bragg additivity rule (labeled IAM-AR), and also the so-called pixel-counting method (IAM-PCM). The latter yields reduced cross sections relative to IAM-AR near the maximum, since it takes into account the overlapping nature of effective cross sectional areas. The IAM-PCM for higher-charge projectiles leads to strong reductions of net ionization cross sections relative to the IAM-AR method, and is computed directly for projectile charges $Q=1, 2, 3$. The scaling behavior of the IAM-PCM is investigated over a wide range of energies $E$, and at high $E$ it converges towards the IAM-AR. An empirical scaling rule is established which allows to reproduce these results based on proton impact calculations. Detailed comparisons are provided for the uracil target ($\rm C_4 H_4 N_2 O_2$), for which other theoretical as well as experimental results are available. Based on the scaling model derived from the IAM-PCM data it is shown how the experimental data for uracil and water bombarded by multiply charged ions can be reduced to effective $Q=1$ cross sections respectively, and these are compared to proton impact data.
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