NIST Materials Data Repository
The National Institute of Standards and Technology has created a materials science data repository as part of an effort in coordination with the Materials Genome Initiative (MGI) to establish data exchange protocols and mechanisms that will foster data sharing and reuse across a wide community of researchers, with the goal of enhancing the quality of materials data and models. Data present on this system are varied and may originate from within NIST or from the worldwide materials community. Data present on this system may or may not be critically reviewed.
All data in this repository are intended to be public; some data may be a part of invitation-only collections while researchers continue to analyze the data prior to publication, with the goal of making the public data presentable in a meaningful way. Publishable data derived from working data will be made public at the appropriate time (this may coincide with end of a grant or when the data has been accepted for publication).
The NIST Materials Data Repository is open to the research community interested in developing best practices in the management of materials data. We are currently looking into use cases for expansion of the site including, but not limited to, partnerships with other projects focusing on discoverability.
Anyone having an interest in an invitation-only collection should contact the site administrator for more information.
(2019-11)Density functional theory (DFT) calculations show that it is essential to consider the magnetic contribution to the total energy for the end-members of the σ phase. A more straightforward method to use the DFT results in ...
(2018-12)The Co-Ta system has been reviewed and the thermodynamic description was re-assessed in the present work. DFT (density functional theory) calculations considering spin polarization were performed to obtain the energies for ...
Processing-structure-property relationships in material extrusion additive manufacturing are complex, non-linear, and poorly understood. In this work, we designed an informatics workflow for the collection of high pedigree ...
Impact of solutes on the lattice parameters and elastic stiffness coefficients of hcp Fe from first-principles calculations (2018-12-16)The hexagonal close-packed (hcp) $\epsilon$-martensite phase in steels nucleates from the austenite parent phase during plastic straining and can be stabilized by solute additions. We compute the lattice parameters and ...
We use density functional theory (DFT) to compute the core structures of a_0(010) edge, a_0(011) edge, a_0/2[-1-11](1-10) edge, and a_0/2(1-10) 71 degree mixed dislocations in body-centered cubic (bcc) Fe. ...