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Towards a metadata scheme for the description of materials – the description of microstructures

机译:迈向描述材料的元数据方案–微观结构的描述

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摘要

The property of any material is essentially determined by its microstructure. Numerical models are increasingly the focus of modern engineering as helpful tools for tailoring and optimization of custom-designed microstructures by suitable processing and alloy design. A huge variety of software tools is available to predict various microstructural aspects for different materials. In the general frame of an integrated computational materials engineering (ICME) approach, these microstructure models provide the link between models operating at the atomistic or electronic scales, and models operating on the macroscopic scale of the component and its processing. In view of an improved interoperability of all these different tools it is highly desirable to establish a standardized nomenclature and methodology for the exchange of microstructure data. The scope of this article is to provide a comprehensive system of metadata descriptors for the description of a 3D microstructure. The presented descriptors are limited to a mere geometric description of a static microstructure and have to be complemented by further descriptors, e.g. for properties, numerical representations, kinetic data, and others in the future. Further attributes to each descriptor, e.g. on data origin, data uncertainty, and data validity range are being defined in ongoing work. The proposed descriptors are intended to be independent of any specific numerical representation. The descriptors defined in this article may serve as a first basis for standardization and will simplify the data exchange between different numerical models, as well as promote the integration of experimental data into numerical models of microstructures. An HDF5 template data file for a simple, three phase Al-Cu microstructure being based on the defined descriptors complements this article.
机译:任何材料的性质基本上都取决于其微观结构。数值模型越来越成为现代工程学的重点,它们是通过适当的处理和合金设计来定制和优化定制设计的微结构的有用工具。各种各样的软件工具可用于预测不同材料的各种微观结构方面。在集成计算材料工程(ICME)方法的总体框架中,这些微观结构模型提供了以原子或电子尺度运行的模型与以组件及其加工的宏观尺度运行的模型之间的链接。考虑到所有这些不同工具的改进的互操作性,非常需要建立用于交换微结构数据的标准化术语和方法。本文的范围是提供用于描述3D微结构的元数据描述符的综合系统。所提出的描述符仅限于静态微观结构的单纯几何描述,并且必须由其他描述符(例如,图1)补充。用于性能,数值表示,动力学数据等。每个描述符的其他属性,例如有关数据来源,数据不确定性和数据有效性范围的定义正在进行中。提出的描述符旨在独立于任何特定的数字表示。本文中定义的描述符可作为标准化的第一个基础,并将简化不同数值模型之间的数据交换,并促进将实验数据集成到微结构数值模型中。用于基于定义描述符的简单三相Al-Cu微结构的HDF5模板数据文件对本文进行了补充。

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