Birch Ruth, Britton Thomas Benjamin
Materials, Imperial College London, London SW7 2AZ, United Kingdom.
Materials Engineering, University of British Columbia, Vancouver, Canada.
J Appl Crystallogr. 2022 Feb 1;55(Pt 1):33-45. doi: 10.1107/S1600576721011584.
Materials with an allotropic phase transformation can form microstructures where grains have orientation relationships determined by the transformation history. These microstructures influence the final material properties. In zirconium alloys, there is a solid-state body-centred cubic (b.c.c.) to hexagonal close-packed (h.c.p.) phase transformation, where the crystal orientations of the h.c.p. phase can be related to the parent b.c.c. structure via the Burgers orientation relationship (BOR). In the present work, a reconstruction code, developed for steels and which uses a Markov chain clustering algorithm to analyse electron backscatter diffraction maps, is adapted and applied to the h.c.p./b.c.c. BOR. This algorithm is released as open-source code (via github, as ). The algorithm enables new post-processing of the original and reconstructed data sets to analyse the variants of the h.c.p. α phase that are present and understand shared crystal planes and shared lattice directions within each parent β grain; it is anticipated that this will assist in understanding the transformation-related deformation properties of the final microstructure. Finally, the code is compared with recently released reconstruction codes implemented in to reveal differences and similarities in how the microstructure is described.
具有同素异形相变的材料能够形成微观结构，其中晶粒具有由相变历史决定的取向关系。这些微观结构会影响材料的最终性能。在锆合金中，存在一种从体心立方（b.c.c.）固态相到六方密排（h.c.p.）相的转变，其中h.c.p.相的晶体取向可通过伯格斯取向关系（BOR）与母相b.c.c.结构相关联。在本工作中，一种为钢开发的、使用马尔可夫链聚类算法来分析电子背散射衍射图的重构代码，被改编并应用于h.c.p./b.c.c. BOR。该算法作为开源代码发布（通过github，如 ）。该算法能够对原始数据集和重构数据集进行新的后处理，以分析存在的h.c.p.α相变体，并了解每个母相β晶粒内共享的晶面和共享的晶格方向；预计这将有助于理解最终微观结构与转变相关的变形特性。最后，将该代码与最近在 中实现的重构代码进行比较，以揭示在描述微观结构方式上的异同。
