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用于单相和双相材料中子衍射织构研究的MAUD里特维尔德精修软件。

MAUD Rietveld Refinement Software for Neutron Diffraction Texture Studies of Single‑ and Dual‑Phase Materials.

作者信息

Saville Alec I, Creuziger Adam, Mitchell Emily B, Vogel Sven C, Benzing Jake T, Klemm-Toole Jonah, Clarke Kester D, Clarke Amy J

机构信息

Colorado School of Mines, Golden, CO, USA.

National Institute of Standards and Technology, Gaithersburg, MD, USA.

出版信息

Integr Mater Manuf Innov. 2021;10(3). doi: 10.1007/s40192-021-00224-5.

Abstract

This work presents a detailed instructional demonstration using the Rietveld refinement software MAUD for evaluating the crystallographic texture of single- and dual-phase materials, as applied to High-Pressure-Preferred-Orientation (HIPPO) neutron diffraction data obtained at Los Alamos National Laboratory (LANL) and electron backscatter diffraction (EBSD) pole figures on Ti-6Al-4V produced by additive manufacturing. This work addresses a number of hidden challenges intrinsic to Rietveld refinement and operation of the software to improve users' experiences when using MAUD. A systematic evaluation of each step in the MAUD refinement process is described, focusing on devising a consistent refinement process for any version of MAUD and any material system, while also calling out required updates to previously developed processes. A number of possible issues users may encounter are documented and explained, along with a multilayered assessment for validating when a MAUD refinement procedure is finished for any dataset. A brief discussion on appropriate sample symmetries is also included to highlight possible oversimplifications of the texture data extracted from MAUD. Included in the appendix of this work are two systematic walkthroughs applying the process described. Files for these walkthroughs can be found at the data repository located at: https://doi.org/10.18434/mds2-2400.

摘要

本工作展示了一个详细的教学演示,使用Rietveld精修软件MAUD来评估单相和双相材料的晶体织构,该演示应用于在洛斯阿拉莫斯国家实验室(LANL)获得的高压择优取向(HIPPO)中子衍射数据以及通过增材制造生产的Ti-6Al-4V上的电子背散射衍射(EBSD)极图。这项工作解决了Rietveld精修和该软件操作中固有的一些隐藏挑战,以改善用户使用MAUD时的体验。描述了对MAUD精修过程中每个步骤的系统评估,重点是为任何版本的MAUD和任何材料系统设计一个一致的精修过程,同时还指出了对先前开发过程所需的更新。记录并解释了用户可能遇到的一些问题,以及用于验证任何数据集的MAUD精修程序何时完成的多层评估。还包括关于适当样品对称性的简要讨论,以突出从MAUD提取的织构数据可能存在的过度简化问题。本工作的附录中包含两个应用所述过程的系统演练。这些演练的文件可在位于以下网址的数据存储库中找到:https://doi.org/10.18434/mds2-2400。

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