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The Potential of Monte Carlo Calculations for Quantitative Analysis

机译:蒙特卡罗计算在定量分析中的潜力

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Quantitative electron microprobe analysis of flat polished samples under conditions of normal electron beam incidence is a relatively mature field. When crystal diffraction spectrometers are used serious peak overlaps do not occur, reined versions of the ZAF and φ(ρz) methods now make it possible to do analyses with better than 2% relative accuracy for most major components in a specimen. Unfortunately, the validity of these methods is more questionable when applied to situations of non-normal electron beam incidence or in the examination of rough surfaces, thin films or porous materials, In these cases Monte Carlo calculations offer a lot of promise because geometrical effects can be more easily and completely included. The accuracy of Monte Carlo calculations has not, however, been studied extensively. It was felt that it might be useful to test the method against high quality data sets collected with the conventional normal incidence geometry described above. This type of data has been used extensively to refine ZAF and φ(ρz) methods, and a good collection can be found in the work of Pouchou and Pichoir, and also in the extremely valuable summary of work on gold-copper and gold-silver published by NBS (now NIST). Myklebust et. al., in fact, later did some comparisons of Monte Carlo calculations with the NBS data. The current study provides additional comparisons with a new program developed by Gauvin and Lifshin.
机译:在正常电子束入射条件下对平面抛光样品进行定量电子显微探针分析是一个相对成熟的领域。当使用晶体衍射光谱仪时,不会发生严重的峰重叠,ZAF 和 φ(ρz) 方法的重新版本现在可以对样品中的大多数主要成分进行优于 2% 的相对准确度分析。不幸的是,当应用于非正常电子束入射的情况或检查粗糙表面、薄膜或多孔材料时,这些方法的有效性更加值得怀疑,在这些情况下,蒙特卡洛计算提供了很大的希望,因为几何效应可以更容易和更完整地包括在内。然而,蒙特卡洛计算的准确性尚未得到广泛研究。人们认为,使用上述常规法向入射几何收集的高质量数据集来测试该方法可能很有用。这种类型的数据已被广泛用于改进 ZAF 和 φ(ρz) 方法,在 Pouchou 和 Pichoir 的工作中可以找到很好的集合,也可以在 NBS(现为 NIST)出版的极其有价值的金铜和金银工作摘要中找到。Myklebust 等人。事实上,后来对蒙特卡洛的计算与 NBS 数据进行了一些比较。目前的研究提供了与 Gauvin 和 Lifsink 开发的新程序的额外比较。

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