Simulation of X-Ray Diffraction Profiles By Computer
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摘要: 提出一种模拟X射线衍射线的方法,即在构造Voigt函数的基础上叠加服从泊松分布的随机数,并对模拟结果进行统计检验,以考察它是否符合泊松分布,同时考察是否可把模拟衍射线与实测衍射线看作来自同一个总体。结果表明,可用模拟衍射线代替实测衍射线。并用实例说明如何应用模拟衍射线来解决实际问题。Abstract: A method to simulate X-ray diffraction profiles by using Voigt function and Poisson distribution was established. The statistical evaluation showed that the measured and the corresponding simulated X-ray profiles could be viewed as coming from the same parent population. Results demonstrated that the simulated profiles could be used to replace the measured ones and to solve such problems as evaluation of absolute errors in analyzing X-ray diffraction profiles.
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Keywords:
- X-ray /
- Diffraction profiles /
- Poisson distribution /
- Computer simulation
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[1] Langford JI. A rapid method for analysing the breadths of diffraction and spectral lines using the Voigt function\[J\]. J Appl Cryst,1978,11(1):10-14. [2] Wu E, Gray E, Mac A, et al. Modelling dislocation induced anisotropic line broadening in Rietveld refinements using a Voigt function\[J\]. J Appl Cryst,1998,31(3):356-362. [3] Kurita M, Hirayama H. An estimation of hardness of hardened steels by X-ray diffraction using a Gaussion curve-fitting method\[J\]. Journal of Testing and Evaluation,1984,12(1):13-19. [4] 方再根.计算机模拟和蒙特卡罗方法\[M\].北京:北京工业学院出版社,1988. [5] 徐寒冰. X射线应力分析设备的升级改造和X射线应力分析技术的某些应用\[D\].沈阳:中国科学金属研究所,1997. [6] 徐友鹏.概率论与数理统计\[M\].上海:上海交通大学出版社,1988. [7] 徐建辉. Voigt函数法线形分析技术的改进及其在喷丸组织强化研究中的应用\[D\].沈阳:中国科学院金属研究所, 2003. [8] 王文洪.喷丸组织表层强化的X射线衍射研究\[D\].沈阳: 中国科学院金属研究所, 1999.
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