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The Grain Boundary Data Archive
The purpose of this site is to archive Grain Boundary Character Distribution and Energy Data, including available raw and processed data, and the programs used for analysis. For more background information, read about the GBDA.
News
The Materials Science & Engineering Department of Carnegie Mellon University will host a workshop on 3D Microstructures Aug. 13-15, 2025. For details, see:
Workshop on Methods for Three-Dimensional Microstructure Studies
Tools
For the 3D data sets, I recommend using Dream.3D (here) for the analysis.
Krzysztof Glowinski's Grain Boundary Toolbox (GBToolbox) is also recommended for analyzing grain boundary symmetry and character and for calculating and plotting quantities from 3D data. MAC, Linux, Windows.
Krzysztof Glowinski's Mathematica scripts for plotting grain boundary distributions. Scripts.
A developing archive of FORTRAN programs used to determined distributions of grain boundary properties from two- and three-dimensional data can be found here.
A legacy catalog of the FORTRAN programs used for 2D and 3D computations can be found here.
Data
Each of the links below goes to a page with Materials Specific Grain Boundary Data.
Al: Aluminum alloy 1050
Al2O3: Alumina, 450 ppm Y-doped
Al2O3: Alumina, 450 ppm La-doped
Al2O3: Alumina, 450 ppm Y/La-codoped
Bi0.5Na0.4K0.1TiO3 (3D)
Cu: Copper, commercially pure, in reference and grain boundary engineered states
Fe: Austenite, FCC Fe, TWIP steel with composition 0.6 C - 18 Mn - 1.5 Al balance Fe (wt.%) (3D)
Fe: alpha-Fe (3D) at two different times steps, before and after annealing
Fe: Ferrite, BCC Fe, with composition 0.04 C - 1.52 Mn - 0.2 Si - 0.22 Mo - 0.08 Ti - 0.033 Al balance Fe (wt.%) (3D)
Fe: Interstitial Free Steel, BCC Fe, with composition 0.003 C - 0.13 Mn - 0.08 Ti - 0.03 Al - 0.004 N balance Fe (wt.%)
Mg alloy AZ31B (3D)
MgO (3D)
MgAl2O4: Spinel
Ni: Nickel, commercially pure, in reference and grain boundary engineered states
Ni: Nickel High Purity (3D)
Ni: Nickel High Purity Data for velocity measurements (Described in Science, 374 (2021) 189-193)
Si: Cast PV polycrystalline Si
SrTiO3: Strontium Titanate (3D)
Ti: Titanium, commercially pure, alpha-phase (3D)
Ti: Titanium Alloy, 6% Al, 4% V
TiO2: Rutile and TiO2: Nb-doped-rutile
W: Tungsten
WC: Tungsten Carbide
Y2O3: Yttria (3D)
Y2O3: Ca-doped-yttria
YSZ: yttria-stabilized zirconia: (Zr,Y)O2 (3D)
YSZ: Analysis of yttria-stabilized zirconia: (Zr,Y)O2 grain boundary energies (3D)
Page last updated November 24, 2023.
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