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Facilitate Access to Materials Data

Goal 3: Facilitate Access to Materials Data

  • Identify Best Practices for Implementation of a Materials Data Infrastructure
  • Support Creation of Accessible Materials Data Repositories

The availability of high-quality materials data is crucial to achieving the advances proposed by MGI. Materials data can be used for input in modeling activities, as the medium for knowledge discovery, or as evidence for validating predictive theories and techniques. If made widely available, disparate sources of materials data also could be inventoried to identify gaps in available data and to limit redundancy in research efforts. To benefit from broadly accessible materials data, a culture of data sharing must accompany the construction of a modern materials data infrastructure that includes the software, hardware, and data standards necessary to enable discovery, access, and use of materials science and engineering data.

Driven by a diverse set of communities with unique and heterogeneous requirements, this data infrastructure should allow online access to materials data to provide information quickly and easily. A set of highly distributed repositories should be available to house, search, and curate materials data generated by both experiments and calculations. Community-developed standards should provide the format, metadata, data types, criteria for data inclusion and retirement, and protocols necessary for interoperability and seamless data transfer. This effort should include methods for capturing data, incorporating these methods into existing workflows, and developing and sharing workflows. This strategy requires a structured approach starting with the commissioning of path-finding efforts to identify the required architecture, standards, and policies needed to build a materials data infrastructure. Important to note is that many of the needed information technology solutions are available or under development; the strategy defined here leverages these technical advances and concentrates on applying them in the context of materials research.

Development and application of innovative methods for quantification of hexavalent chromium in soils

A team of researchers in the USGS Minerals Program is improving and expanding the available methods for direct quantification of hexavalent chromium [Cr(VI)] in solids using innovative techniques. Synchrotron-based X-ray absorption spectroscopy (XAS) is currently the best available technique for direct quantification of Cr(VI) in solids at trace (ppm) levels and in phases lacking long-range atomic order. The USGS group has developed semi-automated peak-fitting methods to overcome user bias in this approach to quantifying Cr(VI).

Data and Computational Tools for Advanced Materials Design: Structural Materials Applications - Cobalt Based Superalloys

The development of a materials innovation infrastructure (MII) that will enable rapid and significant reductions in the development time for new materials with improved properties is a critical element of the Materials Genome Initiative (MGI). Within this infrastructure materials data and modeling tools will be integrated to optimize material properties for a given set of design criteria. Case studies will be used to determine which data structure and tools need to be implemented to facilitate efficient advanced materials design and establish standards for the MII. This project highlights a materials design approach to the design of a high temperature cobalt-based superalloys for the aerospace and power generation industries.

Currently in the aerospace industry it takes approximately 18 months to design a part, but it can take over 10 years to design the ideal material from which to make the designed part. The goal of this project is to dramatically reduce the time to design a new material for a specific application. For the specific case study of a new class of γ/γ´ Cobalt-based superalloys, the two most important design criteria are:

  • Increased homologous operating temperature (> 50 degrees higher that current Ni-based superalloys), which will increase the turbine engine efficiency and thus decrease fuel consumption and emissions.
  • Increased wear resistance, which will increase the service life of the engine and lower operational costs.

DOE EERE Fuel Cell Technologies Office Database

The DOE EERE Fuel Cell Technologies Office maintains a publicly accessible database of the material properties of hydrogen storage materials (adsorbents, chemicals, and reversible hydrides). The database collects information from experimentation and computational models developed both with and without DOE funding, with the intent of accelerating the development of hydrogen storage materials.

Innovation in High Energy Diffraction Microscopy Adds New Insights to Material Deformation and Failure

A team of researchers from the Air Force Research Laboratory, Argonne National Laboratory, Lawrence Livermore National Laboratory, Carnegie Mellon University, Petra III (Germany), PulseRay, and Cornell University have developed a revolutionary experimental capability using high energy synchrotron x-ray techniques to non-destructively measure the internal structure and micro-mechanical state of deforming polycrystalline solids.

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Navigate to Other Activities by Strategic Goal

Strategic Goal: Equip the Next-Generation Materials Workforce
Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure
Joint Center for Energy Storage Research (JCESR)
Rational Design of Advanced Polymeric Capacitor Films Multidisciplinary University Research Initiative (MURI)
Automatic Flow for Materials Discovery (AFLOW)
PRedictive Integrated Structural Materials Science (PRISMS) Center
Center of Materials in Extreme Dynamic Environments (CMEDE)
Center of Excellence on Integrated Materials Modeling (CEIMM)
The Materials Project
Center for Hierarchical Materials Design (CHiMaD)
Strategic Goal: Enable a Paradigm Shift in Materials Development
QMCPACK
PRedictive Integrated Structural Materials Science (PRISMS) Center
The Brilliance of Diamonds
Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure
Center of Materials in Extreme Dynamic Environments (CMEDE)
Center of Excellence on Integrated Materials Modeling (CEIMM)
The Nanoporous Materials Genome Center
AFRL, NIST, and NSF Announce Materials Science and Engineering Data Challenge Awardees
The Center for Materials in Extreme Dynamic Environments (CMEDE)
Center for Hierarchical Materials Design (CHiMaD)
The Materials Project
Joint Center for Energy Storage Research (JCESR)
Strategic Goal: Integrate Experiments, Computation, and Theory
Center of Materials in Extreme Dynamic Environments (CMEDE)
The Center for Materials in Extreme Dynamic Environments (CMEDE)
QMCPACK
PRedictive Integrated Structural Materials Science (PRISMS) Center
Innovation in High Energy Diffraction Microscopy Adds New Insights to Material Deformation and Failure
The Nanoporous Materials Genome Center
Center of Excellence on Integrated Materials Modeling (CEIMM)
DOE EERE Fuel Cell Technologies Office Database
Center for Hierarchical Materials Design (CHiMaD)
Rational Design of Advanced Polymeric Capacitor Films Multidisciplinary University Research Initiative (MURI)
Data and Computational Tools for Advanced Materials Design: Structural Materials Applications - Cobalt Based Superalloys
Multidisciplinary University Research Initiative: Managing the Mosaic of Microstructure
Strategic Goal: Facilitate Access to Materials Data
Center for Hierarchical Materials Design (CHiMaD)
Data and Computational Tools for Advanced Materials Design: Structural Materials Applications - Cobalt Based Superalloys
Materials Data Curation System
Joint Center for Artificial Photosynthesis (JCAP)
PRedictive Integrated Structural Materials Science (PRISMS) Center
DOE EERE Fuel Cell Technologies Office Database
Center for Theoretical and Computational Materials Science (CTCMS)
Innovation in High Energy Diffraction Microscopy Adds New Insights to Material Deformation and Failure
Center of Materials in Extreme Dynamic Environments (CMEDE)
The Materials Project
Innovative methods to identify critical and/or strategic elements from unconventional domestic sources
Development and application of innovative methods for quantification of hexavalent chromium in soils
Automatic Flow for Materials Discovery (AFLOW)
AFRL, NIST, and NSF Announce Materials Science and Engineering Data Challenge Awardees
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