Polymer Nanocomposite Data: Curation, Frameworks, Access, and Potential for Discovery and Design
Polymer Nanocomposite Data: Curation, Frameworks, Access, and Potential for Discovery and Design
复制标题
聚合物纳米复合材料数据：管理，框架，访问，以及发现和设计的潜力
DOI：
10.1021/acsmacrolett.0c00264
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发表时间：
2020-08-18
影响因子：
7.015
通讯作者：
Hu, Bingyin
中科院分区：
文献类型：
--
作者：
Brinson, L. Catherine;Deagen, Michael;Hu, Bingyin
随着美国材料基因组计划（MGI）的出现以及世界各地对材料数据的类似关注，已经开发了许多材料数据资源和相关词汇表、工具和存储库。虽然大多数系统侧重于金属合金的切片计算数据，但NanoMine是一个开源平台，其目标是管理和存储聚合物纳米复合材料（掺杂纳米颗粒的聚合物）的各种实验数据，并提供表征和分析工具，以促进易于纳米复合材料设计的长期目标。迄今为止，来自文献和个别实验室的2500多个样本的数据已被整理成NanoMine，其中包括来自本期虚拟期刊的论文中的230个样本。这个虚拟问题代表了数据存储库灵活性的实验，以一次捕获许多数据集的独特实验元数据需求，并挑战作者参与与给定出版物相关的研究数据的管理。原则上，NanoMine提供了一个公平的平台，在这个平台上，发表在论文中的数据可以通过简单的搜索工具直接找到和访问，具有开放的元数据标准，可以与更大的材料数据注册表互操作，并允许轻松重用数据，例如对新结果进行基准测试。我们的希望是，随着时间的推移，像这样的平台可以捕获许多新发布的材料数据，并在相互连接的材料数据生态系统中形成节点，这将允许研究人员强大地存档他们的数据，添加到不断增长的易于访问的数据体中，并通过应用数据分析和设计工具实现新的发现形式。
With the advent of the materials genome initiative (MGI) in the United States and a similar focus on materials data around the world, a number of materials data resources and associated vocabularies, tools, and repositories have been developed. While the majority of systems focus on slices of computational data with an emphasis on metallic alloys, NanoMine is an open source platform with the goal of curating and storing widely varying experimental data on polymer nanocomposites (polymers doped with nanopartides) and providing access to characterization and analysis tools with the long-term objective of promoting facile nanocomposite design. Data on over 2500 samples from the literature and individual laboratories has been curated to date into NanoMine, including 230 samples from the papers bound in this virtual issue. This virtual issue represents an experiment of the flexibility of the data repository to capture the unique experimental metadata requirements of many data sets at one time and to challenge the authors to participate in the curation of their research data associated with a given publication. In principle, NanoMine offers a FAIR platform in which data published in papers becomes directly Findable and Accessible via simple search tools, with open metadata standards that are Interoperable with larger materials data registries, and allows easy Reuse of data, e.g. benchmarking against new results. Our hope is that with time, platforms such as this one could capture much of the newly published data on materials and form nodes in an interconnected materials data ecosystem which would allow researchers to robustly archive their data, add to the growing body of readily accessible data, and enable new forms of discovery by application of data analysis and design tools.