NIST MaterialsData: Recent submissions
Now showing items 1-20 of 379
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Geometries of edge and mixed dislocations in bcc Fe from first principles calculations
We use density functional theory (DFT) to compute the core structures of a_0[100](010) edge, a_0[100](011) edge, a_0/2[-1-11](1-10) edge, and a_0/2[111](1-10) 71 degree mixed dislocations in body-centered cubic (bcc) Fe. ... -
Raw and Processed Data to Generate Three-Dimensional Grain Map of Open-Cell Aluminum Foam
(2018-08-03)A three-dimensional grain map of an investment-cast, open-cell, aluminum foam is generated using a combination of experimentally derived and synthetically derived data. Specifically, the experimental data are derived from ... -
Thermodynamic Assessments of Bi-Te Bi-Se Sb-Te
The Bi-Te, Bi-Se, and Sb-Te systems have been assessed. The compounds Bi2Te3, Bi2Se3, and Sb2Te3 have been assessed using a 3 sublattice model and the intrinsic carriers of each compound have been assessed. The homologous ... -
Na-Doped Pb(S,Se,Te) CALPHAD Assessment
(2018-08-02)The PbX (X=S,Se,Te) system has been thermodynamically assessed. The individual binaries of the PbX system have been assessed using a two-sublattice model to describe the intrinsic carriers of the system. The 2SL model has ... -
Mobility Database Pb(S,Te) System
The mobility and thermodynamics of the Pb(S,Te) have been assessed using a diffusion couple. -
Multivariate Analysis of High Through-Put Adhesively Bonded Single Lap Joints: Experimental and Work Flow Protocols – Constitutive mechanical properties
(2018-05-31)Tensile stress-strain mechanical test results and analysis for the adhesives and aluminum adherend. -
Thermodynamics of rare earth sesquioxides
(2007)Experimental thermochemical and related data for rare earth sesquioxides, R2O3 (R = Sc, Y, La–Lu) are critically reviewed to provide a consistent set of thermodynamic functions covering the temperature range from at least ... -
Ultrahigh Carbon Steel Microconstituent Annotations
(2018-05-04)This dataset consists of scanning electron micrographs accompanied by microconstituent annotations, and is intended as a community benchmark dataset for microstructure segmentation and clustering tasks. The dataset consists ... -
Systems Design Approach to Low-Cost Coinage Materials
(2015-11-06)A system design approach using an Integrated Computational Materials Engineering (ICME) was used to design three new low-cost seamless replacement coinage alloys to reduce the raw material of the current US coinage alloys. ... -
Phase Field Benchmark 7a - FiPy with explicit double-well
(2018-03-13) -
Effect of solutes on the lattice parameters and elastic stiffness coefficients of body-centered tetragonal Fe
(2018-03-03)We compute changes in the lattice parameters and elastic stiffness coefficients Cij of body-centered tetragonal (bct) Fe due to Al, B, C, Cu, Mn, Si, and N solutes. Solute strain misfit tensors determine changes in the ... -
Thermodynamic re-assessment of the Al-Co-W system
The Al-Co-W system and its binary sub-systems Al-Co, Al-W and Co-W were critically reviewed. The thermodynamic description of the Al-Co-W system including all three binaries was developed considering thermodynamic and ... -
Evaluating error with atomistic simulations: the effect of potential and calculation methodology on the modeling of lattice and elastic constants
Atomistic simulations using classical interatomic potentials are powerful investigative tools linking atomic structures to dynamic properties and behaviors. It is well known that different interatomic potentials produce ... -
A computational framework for material design
(2017-08-18)A computational framework is proposed that enables the integration of experimental and computational data, a variety of user-selected models, and a computer algorithm to direct a design optimization. To demonstrate this ... -
Synchrotron Diffraction and Composition Data Sets of Co-Fe-Zr Metallic Glasses
(2017-07-12)The dataset summarizes a series of high-throughput studies on the Co-Fe-Zr metallic glass system with a total of 1323 unique alloys having been investigated. The primary goal of the work was to identify unsupervised ... -
Interdiffusion in the Ni-Re System: Evaluation of Uncertainties
(2017-06-22)Diffusion couple experiments between Ni and Re at 1200 and 1350 °C were performed. These experiments established the limits of the two-phase FCC + HCP region. No intermediate phase was observed at these temperatures. ... -
Thermodynamic Description of the Ti-Al-O System Based on Experimental Data
(2017-06-08)Phase equilibria of the TiO2-Al2O3 system were investigated experimentally using XRD, SEM/EDX and DTA methods. Temperature stability limits of the aluminum titanate (Al2TiO5) were detected. The thermodynamic parameters of ...