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A real-space approach to the analysis of stacking faults in close-packed metals: G(r) modelling and Q-space feedback.
Acta Crystallographica Section A: Foundations and Advances ( IF 1.8 ) Pub Date : 2020-01-01 , DOI: 10.1107/s2053273319014578
Alessandro Longo 1 , Francesco Giannici 2 , Luisa Sciortino 2 , Antonino Martorana 2
Affiliation  

An R-space approach to the simulation and fitting of a structural model to the experimental pair distribution function is described, to investigate the structural disorder (distance distribution and stacking faults) in close-packed metals. This is carried out by transferring the Debye function analysis into R space and simulating the low-angle and high-angle truncation for the evaluation of the relevant Fourier transform. The strengths and weaknesses of the R-space approach with respect to the usual Q-space approach are discussed.

中文翻译:

一种用于分析密堆积金属中堆垛层错的真实空间方法:G(r)建模和Q空间反馈。

描述了一种R空间方法,用于模拟和将结构模型拟合到实验对分布函数,以研究密排金属中的结构无序(距离分布和堆垛层错)。这是通过将Debye函数分析转移到R空间并模拟低角度和高角度截断以评估相关傅里叶变换来进行的。讨论了R空间方法相对于常规Q空间方法的优缺点。
更新日期:2020-01-07
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