Polymer Nanocomposite Data: Curation, Frameworks, Access, and Potential for Discovery and Design,ACS Macro Letters

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Polymer Nanocomposite Data: Curation, Frameworks, Access, and Potential for Discovery and Design
ACS Macro Letters ( IF 5.1 ) Pub Date : 2020-07-14 , DOI: 10.1021/acsmacrolett.0c00264
L Catherine Brinson ₁ , Michael Deagen ₂ , Wei Chen ₃ , James McCusker ₄ , Deborah L McGuinness ₄ , Linda S Schadler ₂ , Marc Palmeri ₁ , Umar Ghumman ₃ , Anqi Lin ₁ , Bingyin Hu ₁

Affiliation

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 nanoparticles) 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.

中文翻译：

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

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的词汇、工具和存储库。虽然大多数系统专注于计算数据切片，重点是金属合金，但 NanoMine 是一个开源平台，其目标是管理和存储关于聚合物纳米复合材料（掺杂有纳米粒子的聚合物）的广泛变化的实验数据，并提供对表征和分析工具，其长期目标是促进简便的纳米复合材料设计。迄今为止，来自文献和各个实验室的 2500 多个样本的数据已被整理到 NanoMine 中，其中包括来自本虚拟期刊中装订的论文的 230 个样本。这个虚拟问题代表了数据存储库的灵活性实验，以一次捕获许多数据集的独特实验元数据要求，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 FAIR 平台，在该平台上发表在论文中的数据可以直接变成可通过简单的搜索工具查找和访问，具有可与更大的材料数据注册表互操作的开放元数据标准，并允许轻松重复使用数据，例如针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大部分新发布的材料数据，并在互连的材料数据生态系统中形成节点，这将使研究人员能够可靠地归档他们的数据，添加到不断增长的易于访问的数据中，并通过应用数据分析和设计工具实现新的发现形式。

更新日期：2020-08-18

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