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Monte Carlo simulation of coherently scattered photons based on the inverse-sampling technique.
Acta Crystallographica Section A: Foundations and Advances ( IF 1.8 ) Pub Date : 2020-01-01 , DOI: 10.1107/s2053273319014530
Wazir Muhammad 1 , Ying Liang 1 , Gregory R Hart 1 , Bradley J Nartowt 1 , Jun Deng 1
Affiliation  

The acceptance-rejection technique has been widely used in several Monte Carlo simulation packages for Rayleigh scattering of photons. However, the models implemented in these packages might fail to reproduce the corresponding experimental and theoretical results. The discrepancy is attributed to the fact that all current simulations implement an elastic scattering model for the angular distribution of photons without considering anomalous scattering effects. In this study, a novel Rayleigh scattering model using anomalous scattering factors based on the inverse-sampling technique is presented. Its performance was evaluated against other simulation algorithms in terms of simulation accuracy and computational efficiency. The computational efficiency was tested with a general-purpose Monte Carlo package named Particle Transport in Media (PTM). The evaluation showed that a Monte Carlo model using both atomic form factors and anomalous scattering factors for the angular distribution of photons (instead of the atomic form factors alone) produced Rayleigh scattering results in closer agreement with experimental data. The comparison and evaluation confirmed that the inverse-sampling technique using atomic form factors and anomalous scattering factors exhibited improved computational efficiency and performed the best in reproducing experimental measurements and related scattering matrix calculations. Furthermore, using this model to sample coherent scattering can provide scientific insight for complex systems.

中文翻译:

基于逆采样技术的相干散射光子的蒙特卡罗模拟。

接受拒绝技术已广泛用于数个蒙特卡罗模拟软件包中,用于光子的瑞利散射。但是,在这些软件包中实现的模型可能无法重现相应的实验和理论结果。差异归因于以下事实:所有当前的模拟都针对光子的角度分布实施了弹性散射模型,而没有考虑异常散射效应。在这项研究中,提出了一种基于反采样技术的利用异常散射因子的新型瑞利散射模型。在仿真精度和计算效率方面,它的性能已与其他仿真算法进行了评估。使用通用的蒙特卡洛程序包(称为媒体中的粒子传输(PTM))测试了计算效率。评估表明,同时使用原子形状因子和反常散射因子来进行光子角度分布的Monte Carlo模型(而不是仅使用原子形状因子)产生的瑞利散射结果与实验数据更加吻合。比较和评估证实,使用原子形状因子和反常散射因子的逆采样技术显示出更高的计算效率,并且在再现实验测量值和相关散射矩阵计算方面表现最佳。此外,使用此模型对相干散射进行采样可以为复杂系统提供科学见解。
更新日期:2020-01-07
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