使用谐波法重建低晶格和样品对称性材料的方向分布函数

IF 0.9 4区 材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Inorganic Materials Pub Date : 2024-07-30 DOI:10.1134/s0020168524700146
A. S. Kolyanova
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引用次数: 0

摘要

摘要 多晶材料的许多特性取决于其晶体纹理,而晶体纹理可以用取向分布函数(ODF)来完全描述。定量纹理分析的主要任务是通过 X 射线或中子衍射方法获得的二维投影重建 ODF。在这项工作中,介绍了使用谐波法重建低晶格和样品对称性材料的 ODF 的结果。该方法基于使用三维对称球形函数在傅里叶级数中展开 ODF。所使用的实函数是相应复球面函数的线性组合。研究了单组分纹理模型和镁合金样品在等通道角压下的纹理。两种纹理都具有六方晶格对称性和三菱样品对称性。在这两种情况下,用于检验解决方案是否充分的 RP 因子值和 ODF 计算误差在计算数据和原始数据之间显示出良好的一致性。研究还发现,镁合金样品的ODF包含两个纹理成分(\(\bar {1}\)2\(\bar {1}\)6)[\(\bar {1}\)211]和(\(\bar {1}\)2\(\bar {1}\)6)[\(\bar {1}\)2\(\bar {1}\)1],最大强度分别为13.81和2.23。所得结果可用于陶瓷、岩石和其他对称性较低的非金属材料的纹理研究。
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Reconstruction of the Orientation Distribution Function for Materials with Low Lattice and Sample Symmetry Using the Harmonic Method

Abstract

Many properties of polycrystalline materials depend on their crystallographic texture, which can be fully described by the orientation distribution function (ODF). The main task of quantitative texture analysis is to reconstruct the ODF from its two-dimensional projections, which are obtained through X-ray or neutron diffraction methods. In this work, the results of ODF reconstruction for materials with low lattice and sample symmetry using the harmonic method are presented. The method is based on expanding the ODF in a Fourier series using three-dimensional symmetric spherical functions. Real functions which are linear combinations of corresponding complex spherical functions were used. A model single-component texture and the texture of a magnesium alloy sample subjected to equal-channel angular pressing were investigated. Both textures exhibit hexagonal lattice symmetry and triclinic sample symmetry. In both cases, the RP-factor values and the error of ODF calculation, used to check the adequacy of the solution, showed good agreement between the calculated and original data. It was also found that the ODF of the magnesium alloy sample contains two texture components (\(\bar {1}\)2\(\bar {1}\)6)[\(\bar {1}\)211] and (\(\bar {1}\)2\(\bar {1}\)6)[\(\bar {1}\)2\(\bar {1}\)1] with maximum intensities of 13.81 and 2.23, respectively. The obtained results can be used in texture studies of ceramics, rocks, and other nonmetallic materials with low symmetry.

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来源期刊
Inorganic Materials
Inorganic Materials 工程技术-材料科学:综合
CiteScore
1.40
自引率
25.00%
发文量
80
审稿时长
3-6 weeks
期刊介绍: Inorganic Materials is a journal that publishes reviews and original articles devoted to chemistry, physics, and applications of various inorganic materials including high-purity substances and materials. The journal discusses phase equilibria, including P–T–X diagrams, and the fundamentals of inorganic materials science, which determines preparatory conditions for compounds of various compositions with specified deviations from stoichiometry. Inorganic Materials is a multidisciplinary journal covering all classes of inorganic materials. The journal welcomes manuscripts from all countries in the English or Russian language.
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