点阵细化策略。

IF 1.8 4区 材料科学
Acta Crystallographica Section A Pub Date : 2012-03-01 Epub Date: 2012-01-27 DOI:10.1107/S010876731105598X
John K Edmiston, Joel V Bernier, Nathan R Barton, George C Johnson
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引用次数: 11

摘要

这篇文章定量地调和了晶格细化的晶体学和力学方法,作为x射线衍射过程的一部分。从固定的参考构型出发,建立了基于单元胞参数的细化与基于晶格变形张量的细化之间的等价性。本文还推导了基于x射线衍射的应力分析中常用的小应变假设的理由。结果表明,基于无穷小应变的关系式是正确的,误差在应变的二次阶以内。对于高精度或高应变实验,这个误差可能是重要的考虑因素。希望这些结果有助于促进晶体学和实验力学之间的交流和合作,用于以x射线衍射数据为基础测量的研究。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Lattice refinement strategies.

This article quantitatively reconciles crystallographic and mechanics approaches to lattice refinement as part of X-ray diffraction procedures. The equivalence between the refinement based on unit-cell parameters to that based on a lattice deformation tensor is established from a fixed reference configuration. Justification for the small strain assumption, commonly employed in X-ray diffraction based stress analysis, is also derived. It is shown that relations based on infinitesimal strains are correct to within an error of quadratic order in strain. This error may be important to consider for high-precision or high-strain experiments. It is hoped that these results are of use for facilitating communication and collaboration between crystallography and experimental mechanics communities, for studies where X-ray diffraction data are the fundamental measurement.

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来源期刊
自引率
11.10%
发文量
0
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.
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