陶瓷中Rietveld细化和结构可视化的挑战

T. A. Para, S. Sarkar
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引用次数: 7

摘要

在材料科学领域最常见和最基本的表征是全能的x射线衍射(XRD)。在每一个研究所、每一份研究报告和每一份手稿中,关于材料的性质,基本上都能找到x射线衍射图。虽然这些工作的基础是在数据库中发现x射线衍射图与某些结构相匹配,但很少讨论各种物理特性的各种特征衍射表现的深入意义。大多数研究人员(尤其是初学者)要么没有意识到基于x射线的表征的威力,要么没有正确地介绍它,或者有时他们对它的结果根本不感兴趣。对这些研究结果的兴趣降低(后来)可能是因为没有足够的时间花费或在证明工作动机方面没有有效性。前两者更多地与核心概念发展的学习材料的可获得性和可及性有关。大多数研究机构总是无法获得广泛的科学文献,而加入这些机构的研究人员在一定程度上受到影响。在有效的开放获取和免费获取技术的背景下,至少尝试将与x射线衍射有关的概念积累、吸收和汇总在一个单一的包中是谨慎的。本章是在这条道路上的一次尝试。
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Challenges in Rietveld Refinement and Structure Visualization in Ceramics
The most common and basic characterization in the field of material science is the almighty X-ray diffraction (XRD). In every institute, every research report and every manuscript, concerning material properties, the X-ray diffraction pattern is essentially found. Although the basis of these works relies on the fact that X-ray diffraction pattern was found to be matching with some structure in a database, the in depth significance of the various characteristic diffraction manifestations of various physical characters are rarely discussed. Most of the researchers (especially beginners) are either not aware of the prowess of X-ray based characterizations, or have not been introduced to it properly or may be sometimes they are not interested in its results at all. The decreased interest (later) in the results from such studies might be for not being productive enough for time spending or non-effectiveness in justifying the motivation of the work. The former two are more related to the availability and accessibility of study material for the development of core concepts. Most of the institutes always do not have access to the span-wide scientific literature and the researchers joining these institutions are partly affected. In this context the effective open-access and free availability of intech-open, it is prudent to at least attempt to accumulate, assimilated and aggregate the concepts related to X-ray diffraction in a single package. The chapter is an attempt in the path of this route.
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