NanoMine: an Online Platform of Materials Genome Prediction for Polymer Nanocomposites

Materials science is founded on the processing-structure-properties (p-s-p) paradigm. Understanding of mechanisms has built up over decades, leading to a rich tapestry of knowledge used to select and design materials for various applications. Unlike metallic alloy systems for which databases and predictive tools have been built to enable more rapid materials design, the polymer nanocomposite data/design space is considerably less developed due to the heterogeneity of constituent combinations and complexity in polymer and interphase behavior. 

Because of the complex mechanisms involved in nanocomposite fabrication and response, as well as the isolation of data sets from each other, both the fundamental understanding and the discovery of new nanocomposites is Edisonian and excruciatingly slow. NanoMine is built on both a schema and an ontology using FAIR (findable, accessible, interoperable and reusable) principles. Nanomine also allows for the registration of materials resources, bridging the gap between existing resources and the end users and making those existing resources available to the materials research community. The data framework, together with module tools like microstructure characterization and FEA simulation, forms the nanocomposite data resource. Ongoing development includes tools for curation, search and visualization, characterization, simulation, and more. 

You can access the prototype by clicking the button NanoMine link. Users without a Duke NetID can apply for a Duke Onelink account for access.

MaterialsMine framework

Active Researcher on the Project:

Anqi Lin, Tolulomo Fateye, Nicholas Finan, Defne Circi, Marc Palmeri, Anlan Chen

Relevant Publications

[1] Zhao, H., Li, X., Zhang, Y., Schadler, L. S., Chen, W., & Brinson, L. C. (2016). Perspective: NanoMine: A material genome approach for polymer nanocomposites analysis and design. APL Materials, 4(5), 053204.
[2] Zhao, H., Wang, Y., Lin, A., Hu, B., Yan, R., McCusker, J., ... & Brinson, L. C. (2018). NanoMine schema: An extensible data representation for polymer nanocomposites. APL Materials, 6(11), 111108.
[3] Brinson, L. C., Deagen, M., Chen, W., McCusker, J., McGuinness, D. L., Schadler, L. S., ... & Hu, B. (2020). Polymer nanocomposite data: curation, frameworks, access, and potential for discovery and design. ACS Macro Letters, 9(8), 1086-1094.