材料的计算计量学
James Warren1, Jake Read2, Jonathan Seppala1
1National Institute of Standards and Technology, Gaithersburg, USA.
概括
开源原则使材料科学中的计算计量学成为可能,将测量与可复制的计算描述联系起来. 这种方法扩展到测量预测模型,通过3D打印机进行质性表征.
科学领域:
- 材料科学
- 开放科学
- 计算科学
背景情况:
- 先进的材料开发在表征,建模和生产方面面临障碍.
- 专有工具和分离的过程阻碍了开放的科学进步.
- 材料科学中的可复制性受到封闭方法的挑战.
研究的目的:
- 通过将开源原则整合到材料科学仪器中来引入计算计量学.
- 展示开放式仪器如何为测量可重复性提供完整的计算描述.
- 扩展这种方法来测量预测计算模型,而不仅仅是参数.
主要方法:
- 应用开源软件和硬件原则来开发新的材料科学仪器.
- 整合定制仪器与现成的组件, 创造多功能研究工具.
- 开发一种能够进行修形特征和预测建模的修形打印机.
主要成果:
- 已成功开发开放式仪器,使其能够进行可复制的测量,并提供完整的计算描述.
- 演示了计算计量学的扩展以测量预测计算模型.
- 创建了一个将3D打印与形特征能力相结合的Rheoprinter.
结论:
- 计算计量学利用开源实践,显著提高了材料科学中的可复制性和可访问性.
- 开发的开放仪器和计算计量框架有助于采用先进材料.
- 雷奥打印机是整合复杂材料特征和建模的实用例子.
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