Synthetic HCP 3D polycrystalline microstructures with grain-wise microstructural descriptors and stress fields under uniaxial tensile deformation : Part One

Published: 26 June 2018| Version 1 | DOI: 10.17632/kt8hfg4t2p.1
Ankita Mangal,


This data set consists of 54 synthetic 3D equiaxed polycrystalline microstructures with different HCP 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 8 major texture classes. The constitutive parameters for EVPFFT simulations are chosen to represent a hypothetical HCP material with basal <a>, prismatic <a>, pyramidal <a> and pyramidal <c+a> slip systems having equal critically resolved shear strength (CRSS) ratio between the deformation modes.


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 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 200 steps of 0.01%, up to a strain of 2%. The Python code to read the dataset is described in a HTML file.


Carnegie Mellon University


Computational Materials Science, Crystal Plasticity