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Stochastic representation of microstructure via higher-order statistics: Theory and application.

机译:通过高阶统计量的微观结构的随机表示:理论与应用。

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摘要

At the core of materials science is the description of the internal structure (i.e. microstructure) of the material, which spans a multitude of length scales, from the atomistic to the macroscale. Recent advances have now made it possible to capture the rich three-dimensional details of the material structure at various length scales (e.g. X-ray micro-tomography, automated serial sectioning, 3-D atom probe). Given the several hundred thousands of distinct engineered and natural materials of interest, the critical need for new computationally efficient approaches for archival, retrieval, and real-time exploration of the microstructure datasets by the broader scientific community is self-evident. Efforts in these activities are hindered by the lack of a rigorous mathematical definition of the internal structure or microstructure of a material. To this end, the author proposes a definition of microstructure grounded in the formalism of stochastic processes. In this framework the microstructure can be thought of as a set of statistical rules that govern the spatial placement of microstructure features, and observed micrographs are different realizations of the overriding process. This interpretation of microstructure allows for the quantitative comparison of different materials based on structure and more importantly allows for the quantification of the observed variance in samples with the same nominal processing history.;The n-point correlation functions have been shown to be capable of recovering the original micrograph to within a linear translation and/or an inversion, and as such will serve as a primary descriptor of the statistics underlying the stochastic nature of the microstructure. Decomposition of the n-point statistics via principal component analysis (PCA) offers a highly efficient mathematical procedure for cataloguing the microstructure datasets. Subsequently, when a micrograph is selected for analyses, the search algorithms described above are able to identify instantly (in real-time) all of the structures in the database that are closest to the selected structure, and rank them by their distance in the PCA space. Such a database can dramatically increase the speed and efficacy with which we can build datasets that can be shared by the broader scientific community, while minimizing duplication of effort.
机译:材料科学的核心是对材料内部结构(即微观结构)的描述,该结构涵盖从原子尺度到宏观尺度的多种长度尺度。现在的最新进展使得有可能在各种长度尺度上捕获材料结构的丰富的三维细节(例如X射线显微断层扫描,自动连续切片,3-D原子探针)。考虑到数十万种独特的工程材料和自然材料,对于更广泛的科学界来说,对于归档,检索和实时探索微观结构数据集的新的计算有效方法的迫切需求是不言而喻的。由于缺乏对材料内部结构或微观结构的严格数学定义,阻碍了这些活动的努力。为此,作者提出了基于随机过程形式主义的微观结构定义。在此框架中,可以将微观结构视为控制微观结构特征在空间上的位置的一组统计规则,并且观察到的显微照片是覆盖过程的不同实现。对微观结构的这种解释允许根据结构对不同材料进行定量比较,更重要的是,可以对具有相同标称加工历史的样品中观察到的方差进行量化。n点相关函数已被证明能够恢复原始显微照片在线性平移和/或反演范围内,因此将充当微观结构随机性基础统计的主要描述符。通过主成分分析(PCA)对n点统计数据进行分解可提供用于对微观结构数据集进行分类的高效数学程序。随后,当选择显微照片进行分析时,上述搜索算法能够立即(实时)识别数据库中最接近所选结构的所有结构,并通过它们在PCA中的距离对它们进行排名空间。这样的数据库可以极大地提高我们建立可被更广泛的科学界共享的数据集的速度和功效,同时最大程度地减少工作重复。

著录项

  • 作者

    Niezgoda, Stephen Richard.;

  • 作者单位

    Drexel University.;

  • 授予单位 Drexel University.;
  • 学科 Engineering Mechanical.;Engineering Materials Science.;Engineering Metallurgy.
  • 学位 Ph.D.
  • 年度 2010
  • 页码 218 p.
  • 总页数 218
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

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