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使用蒙特卡罗模拟对多孔材料进行X射线微分析。

X-ray microanalysis of porous materials using Monte Carlo simulations.

作者信息

Poirier Dominique, Gauvin Raynald

机构信息

Industrial Materials Institute, National Research Council of Canada, Boucherville.

出版信息

Scanning. 2011 May-Jun;33(3):126-34. doi: 10.1002/sca.20259. Epub 2011 Jul 19.

Abstract

Quantitative X-ray microanalysis models, such as ZAF or φ(ρz) methods, are normally based on solid, flat-polished specimens. This limits their use in various domains where porous materials are studied, such as powder metallurgy, catalysts, foams, etc. Previous experimental studies have shown that an increase in porosity leads to a deficit in X-ray emission for various materials, such as graphite, Cr(2) O(3) , CuO, ZnS (Ichinokawa et al., '69), Al(2) O(3) , and Ag (Lakis et al., '92). However, the mechanisms responsible for this decrease are unclear. The porosity by itself does not explain the loss in intensity, other mechanisms have therefore been proposed, such as extra energy loss by the diffusion of electrons by surface plasmons generated at the pores-solid interfaces, surface roughness, extra charging at the pores-solid interface, or carbon diffusion in the pores. However, the exact mechanism is still unclear. In order to better understand the effects of porosity on quantitative microanalysis, a new approach using Monte Carlo simulations was developed by Gauvin (2005) using a constant pore size. In this new study, the X-ray emissions model was modified to include a random log normal distribution of pores size in the simulated materials. This article presents, after a literature review of the previous works performed about X-ray microanalysis of porous materials, some of the results obtained with Gauvin's modified model. They are then compared with experimental results.

摘要

定量X射线微分析模型,如ZAF或φ(ρz)方法,通常基于固态、平面抛光的标本。这限制了它们在研究多孔材料的各个领域中的应用,如粉末冶金、催化剂、泡沫等。先前的实验研究表明,孔隙率的增加会导致各种材料(如石墨、Cr(2)O(3)、CuO、ZnS(市川等人,1969年)、Al(2)O(3)和Ag(拉基斯等人,1992年))的X射线发射不足。然而,导致这种减少的机制尚不清楚。孔隙率本身并不能解释强度的损失,因此人们提出了其他机制,如在孔隙 - 固体界面处由表面等离子体激元产生的电子扩散导致的额外能量损失、表面粗糙度、孔隙 - 固体界面处的额外电荷或孔隙中的碳扩散。然而,确切的机制仍然不清楚。为了更好地理解孔隙率对定量微分析的影响,高文(2005年)采用恒定孔径开发了一种使用蒙特卡罗模拟的新方法。在这项新研究中,对X射线发射模型进行了修改,以包括模拟材料中孔径的随机对数正态分布。在对先前关于多孔材料X射线微分析的工作进行文献综述之后,本文介绍了用高文修改后的模型获得的一些结果。然后将它们与实验结果进行比较。

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