结合聚合物过程本体学和有机场效应晶体管的实验数据库
Aaron L Liu1, Myeongyeon Lee2, Rahul Venkatesh1
1School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, 311 Ferst Drive, Atlanta, Georgia 30332, United States.
概括
开发用于有机电子产品的标准化数据管理是至关重要的. 这项工作引入了使用ISA-88标准的数据库,以使有机场效应晶体管 (OFET) 的可重复性研究和数据驱动的发现成为可能.
科学领域:
- 材料科学 材料科学 材料科学
- 有机电子 有机电子
- 数据科学数据科学数据科学
背景情况:
- 有机电子,特别是聚合物半导体,是信息学驱动材料开发的关键.
- 设备测量,比如有机场效应晶体管 (OFET) 的移动性,对许多实验参数非常敏感.
- 实验细节的不完整报告阻碍了数据可用于优化,建模和分析的重复使用.
研究的目的:
- 为了解决对实验材料缺乏标准化数据本体学的问题.
- 设计和实施一个强大的对象关系数据库来存储可复制的OFET实验记录.
- 为了实现在有机电子产品中的过程结构属性关系的数据驱动学习.
主要方法:
- 设计了一个基于ISA-88批处理过程控制标准的对象关系数据库结构.
- 从文献和实验室实验中整理了实验数据记录.
- 动员策划数据,以促进流程结构与属性关系的数据驱动学习.
主要成果:
- 成功实施了一个数据库来存储有机场效应晶体管 (OFET) 的实验记录.
- 证明了数据库在实现过程结构属性关系的数据驱动学习方面的实用性.
- 在有机电子产品中建立了FAIR (可查找,可访问,可互操作,可重复使用) 数据策划的基础.
结论:
- 开发的数据库和数据结构,利用ISA-88,为管理有机电子中的实验数据提供了一个标准.
- 这种方法促进了可重复的研究,并加速了新有机电子材料和设备的发现.
- 鼓励材料科学界更广泛地采用数据管理实践和设计标准.
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