A method for calculating the photon-atom coherent scattering cross section considering molecular interference effects

By improving the traditional independent atom shape factor approximation method and considering the molecular interference effect, the photon-atom coherent scattering cross section calculation method is solved, and the problem of large deviation in calculation results under low-energy photon conditions is solved, and the accurate calculation of low-energy photon-atom coherent scattering cross section is achieved.

CN116206694BActive Publication Date: 2025-09-30XI AN JIAOTONG UNIV
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Patent Information

Application Number
CN202310237016.3
Authority / Receiving Office
CN · China
Patent Type
Patents(China)
Current Assignee / Owner
Filing Date
2023-03-13
Publication Date
2025-09-30
Estimated Expiration
2043-03-13

AI Technical Summary

Technical Problem

Traditional coherent scattering cross-section calculation methods cannot accurately describe the molecular interference effect under low-energy photon conditions, resulting in large deviations in the calculation results and making it impossible to accurately calculate the low-energy photon-atom coherent scattering cross-section.

Method used

The photon-atom coherent scattering cross section calculation method considering the molecular interference effect is adopted. Through the Thomson differential scattering cross section calculation, molecular interference function correction and multi-group coherent scattering cross section calculation, the independent atom shape factor approximation method is improved to consider the influence of the interference effect between molecules on the electron density distribution outside the atomic nucleus.

Benefits of technology

The calculation accuracy of the low-energy photon-atom coherent scattering cross section has been significantly improved, and accurate calculation of incident photon energy lower than the binding energy of atomic K-shell electrons has been achieved.

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Abstract

The present invention discloses a method for calculating a photon-atom coherent scattering cross section that takes into account the molecular interference effect. For a specific molecule, the Thomson differential scattering cross section of each element contained in the molecule is first calculated; secondly, a molecular interference function of the molecule to be calculated is obtained based on experimental measurement or molecular dynamics simulation; then, the molecular interference function is used to correct the atomic shape factor of each element contained in the molecule based on the independent atomic shape factor approximation method to obtain an atomic shape factor that takes into account the molecular interference effect; then, the factor is integrated to obtain an integrated atomic shape factor in a continuous energy ACE format database used by a Monte Carlo program; at the same time, the atomic shape factor that takes into account the molecular interference effect is used to correct the Thomson differential scattering cross section to obtain a differential scattering cross section of a coherent scattering reaction that takes into account the molecular interference effect, and the energy angle integration of the modified Thomson differential scattering cross section can be used to obtain a multi-group coherent scattering cross section used by a deterministic program.
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