(Invited) A New Model for Materials Genome Initiative - Driven Research: The High Throughput Experimental Materials Science Virtual Laboratory

Abstract

The main goal of the Materials Genome Initiative (MGI) is the discovery, optimization, and commercial deployment of novel materials twice as fast as today’s practice, and at reduced cost. Since its inception in 2011, the MGI has resulted in significant progress in computational simulation and modeling to enable predictions of materials properties. More recently, an experimental component, based on high-throughput experimental (also known as combinatorial) materials science has been added. However, there remain serious challenges that the materials community must overcome to enable widespread deployment of an MGI-type approach to novel materials development. For example, data, both experimental and simulated, must be made discoverable, accessible, and interoperable. Further, even one “brick and mortar” high-throughput experimental facility would be very costly, whereas multiple facilities dedicated to different materials classes (e.g., catalysts, photovoltaics, lightweight structural materials) would be needed. Therefore, we propose a “High Throughput Experimental Materials Science Virtual Laboratory” (HTEMSVL) to facilitate MGI-driven research. The virtual laboratory would consist of an integrated, delocalized network of high-throughput synthesis and characterization tools, as well as a best-in-class, configurable data curation system, consisting of NIST (and other) materials resource registries and materials data repositories. Thus, data generated in the HTEMSVL could readily be made discoverable and accessible, at the discretion of the owner. Ultimately, users of the HTEMSVL, such as researchers at national labs, universities, and industry could leverage it to facilitate the rapid development and commercialization of novel materials and products.