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材料的计算计量学

Computational metrology for materials.

作者信息

Warren James, Read Jake, Seppala Jonathan, Strand Erik, Gershenfeld Neil

机构信息

National Institute of Standards and Technology, Gaithersburg, USA.

MIT Center for Bits and Atoms, Cambridge, USA.

出版信息

J Mater Res. 2025;40(15):2197-2203. doi: 10.1557/s43578-025-01651-2. Epub 2025 Jul 31.

Abstract

UNLABELLED

Advanced materials hold great promise, but their adoption is impeded by the challenges of developing, characterizing, and modeling them, then of designing, processing, and producing something with them. Even if the results are open, the means to do each of these steps are typically proprietary and segregated. We show how principles of open-source software and hardware can be used to develop open instrumentation for materials science, so that a measurement can be accompanied by a complete computational description of how to reproduce it. And then we show how this approach can be extended to effectively measure predictive computational models rather than just model parameters. We refer to these interrelated concepts as "computational metrology." These are illustrated with examples including a 3D printer that can do rheological characterization of unfamiliar and variable materials.

GRAPHICAL ABSTRACT

A demonstration of computational metrology is shown through the development of a Rheoprinter (left) that combines off-the-shelf printer components with custom instrumentation. At right, a model made by the Rheoprinter to predict relative nozzle pressures as a function of material flow rate and nozzle temperature.

摘要

未标注

先进材料前景广阔,但其应用受到开发、表征和建模,以及用它们设计、加工和生产产品等挑战的阻碍。即便成果是公开的,完成这些步骤的方法通常也是专有的且相互隔离。我们展示了如何利用开源软件和硬件的原理来开发用于材料科学的开放式仪器,以便在进行测量时能同时获得关于如何重现该测量的完整计算描述。然后我们展示了这种方法如何能够扩展到有效测量预测性计算模型,而不仅仅是模型参数。我们将这些相互关联的概念称为“计算计量学”。文中通过一些示例对此进行了说明,包括一台能够对不熟悉的可变材料进行流变学表征的3D打印机。

图形摘要

通过开发一种将现成打印机组件与定制仪器相结合的流变打印机(左图)展示了计算计量学。右图是流变打印机制作的一个模型,用于预测作为材料流速和喷嘴温度函数的相对喷嘴压力。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e6e3/12367839/8d68c8f9f826/43578_2025_1651_Fig1_HTML.jpg

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