采用Thorkildsen和Larsen分析方法计算圆柱和球形样品的吸收校正A*，具有扩展范围和高精度。

IF 1.8 4区材料科学

Acta Crystallographica Section A Pub Date : 2012-11-01 Epub Date: 2012-10-18 DOI:10.1107/S0108767312039505

Hua-Chen Hu, Chao Yang, Kai Zhao

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引用次数: 3

摘要

利用Thorkildsen & Larsen[晶体学报]计算了圆柱晶体和球形晶体的吸收改正量A*表。在0≤μR≤30和0≤θ≤90°范围内，柱状晶体的精度为10(-6)，球形晶体的精度为2.0 × 10(-6)。给出了两种情况下A*的二元Chebyshev多项式拟合公式。对球形晶体的最大拟合误差为6 × 10(-3)，平均误差为7 × 10(-5) ~ 3 × 10(-4)。所有重要的表格和拟合程序都在补充资料中提供。

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Absorption correction A* for cylindrical and spherical samples with extended range and high accuracy calculated by the Thorkildsen and Larsen analytical method.

Tables of the absorption correction A* for cylindrical and spherical crystals were calculated by the Thorkildsen & Larsen [Acta Cryst. (1998), A54, 186-190] analytical method in the range of 0 ≤ μR ≤ 30 and 0 ≤ θ ≤ 90° with accuracies of 10(-6) for cylindrical crystals and 2.0 × 10(-6) for spherical crystals. Bivariate Chebyshev polynomial fitting formulae for A* are also provided for both cases. The maximum fitting error for spherical crystals is 6 × 10(-3) and the average error ranges from 7 × 10(-5) to 3 × 10(-4). All the important tables and the fitting program are provided in the supplementary material.

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来源期刊

Acta Crystallographica Section A 化学-晶体学

自引率

11.10%

发文量

审稿时长

3 months

期刊介绍： Acta Crystallographica Section A: Foundations and Advances publishes articles reporting advances in the theory and practice of all areas of crystallography in the broadest sense. As well as traditional crystallography, this includes nanocrystals, metacrystals, amorphous materials, quasicrystals, synchrotron and XFEL studies, coherent scattering, diffraction imaging, time-resolved studies and the structure of strain and defects in materials. The journal has two parts, a rapid-publication Advances section and the traditional Foundations section. Articles for the Advances section are of particularly high value and impact. They receive expedited treatment and may be highlighted by an accompanying scientific commentary article and a press release. Further details are given in the November 2013 Editorial. The central themes of the journal are, on the one hand, experimental and theoretical studies of the properties and arrangements of atoms, ions and molecules in condensed matter, periodic, quasiperiodic or amorphous, ideal or real, and, on the other, the theoretical and experimental aspects of the various methods to determine these properties and arrangements.