Synthetic FCC 3D polycrystalline microstructures with grain-wise microstructural descriptors and stress fields under uniaxial tensile deformation

Published: 14 June 2018| Version 1 | DOI: 10.17632/ss75fdg5dg.1
Ankita Mangal,


This data set consists of 36 synthetic 3D equiaxed polycrystalline microstructures with different cubic textures, associated microstructural descriptors and the corresponding results from applying a uniaxial tensile stress through EVPFFT simulations. The dataset is organized by dividing the microstructures into 6 major texture classes.


Steps to reproduce

Synthetic 3D Microstructures are created using an open source software Dream.3D at a resolution of 128x128x128 voxels, consisting around 5000 grains each, with a lognormal grain size distribution and a mean grain size of 2.7 microns. Then uniaxial tensile test is simulated using an elasto-viscoplastic fast Fourier transform (EVPFFT) based crystal plasticity method. The constitutive parameters are chosen to represent a generic oxygen free high thermal conductivity(OFHC) copper alloy. The boundary conditions for EVPFFT crystal plasticity simulations correspond to uniaxial tension along Z, with an applied strain rate component along the tensile axis ε ̇33 = 1s−1. The simulation was carried out in 400 steps of 0.01%, up to a strain of 4%. The Python code to read the dataset is described in a HTML file.


Carnegie Mellon University


Materials Science, Machine Learning, Fast Fourier Transform, Applied Mechanics, Microstructure Modeling, Tensile Testing, Crystal Plasticity