The materials innovation ecosystem: A key enabler for the Materials Genome Initiative
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A vision for the materials innovation ecosystem The primary goal of the US Materials Genome Initiative (MGI) is to accelerate the discovery and development of new and improved materials.1,2 There has been historical emphasis on empirical routes for materials development, with computational modeling and simulation playing an increasing role over the past few decades. The predictive character of modeling and simulation has steadily improved, but it principally remains a means of providing decision support for materials development, particularly for metastable materials and nonequilibrium structures. At the same time, the use of first-principles methods to parametrically explore stable compounds for potential functional applications such as batteries has taken on great importance in opening up new venues for materials discovery, greatly reducing empiricism.3 A basic tenet of MGI is that the efficiency, throughput, and connectivity of distributed materials discovery and development efforts can be greatly enhanced by modern data sciences and informatics implemented within the context of big data and high-performance computing. Early manifestations of the data component of MGI focused on database structures and protocols for archiving digital data
of various types. This is perhaps understandable given the historical lack of attention to archiving and open publication of materials data from research and development.1,2 In our view, this phase of development is only a first step, with the more pressing issues defined by how data sciences can enrich the value of data to individual researchers and team collaborations. In the modern era, materials are rarely developed without anticipating a need, nor by the materials R&D community in isolation. Hence we embrace a vision for a broader materials innovation ecosystem shown in Figure 1.1,4 Clearly, materials synthesis, processing, characterization, property measurement, and modeling and simulation at various length and time scales are foundational elements of materials discovery and development. This vision for the materials innovation ecosystem in Figure 1 does not correspond to the organization of a typical research university’s materials research or education programs. Much of the focus of the scientific community with regard to MGI has been toward combinatorial first-principles methods and high-throughput synthesis strategies to facilitate materials discovery, whereas the broader stream of materials development involves manufacturing and product realization. This latter
David L. McDowell, Institute for Materials, Georgia Institute of Technology, USA; [email protected] Surya R. Kalidindi, George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, USA; [email protected] DOI: 10.1557/mrs.2016.61
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MRS BULLETIN • VOLUME 41 • APRIL 2016 • www.mrs.org/bulletin
© 2016 Materials Research Society
THE MATERIALS INNOVATION ECOSYSTEM: A KEY ENABLER FOR THE MATERIALS GENOME INITIATIVE
encompasses both discovery and development aspects,
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