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Title: Investigation of grain-scale microstructural variability in tantalum using crystal plasticity-finite element simulations

In this research, a crystal plasticity-finite element (CP-FE) model is used to investigate the effects of microstructural variability at a notch tip in tantalum single crystals and polycrystals. It is shown that at the macroscopic scale, the mechanical response of single crystals is sensitive to the crystallographic orientation while the response of polycrystals shows relatively small susceptibility to it. However, at the microscopic scale, the local stress and strain fields in the vicinity of the crack tip are completely determined by the local crystallographic orientation at the crack tip for both single and polycrystalline specimens with similar mechanical field distributions. Variability in the local metrics used (maximum von Mises stress and equivalent plastic strain at 3% deformation) for 100 different realizations of polycrystals fluctuates by up to a factor of 2–7 depending on the local crystallographic texture. Comparison with experimental data shows that the CP model captures variability in stress–strain response of polycrystals that can be attributed to the grain-scale microstructural variability. In conclusion, this work provides a convenient approach to investigate fluctuations in the mechanical behavior of polycrystalline materials induced by grain morphology and crystallographic orientations.
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  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Report Number(s):
Journal ID: ISSN 0927-0256; PII: S0927025616300490
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Computational Materials Science
Additional Journal Information:
Journal Volume: 117; Journal Issue: C; Journal ID: ISSN 0927-0256
Research Org:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
36 MATERIALS SCIENCE; Crystal plasticity; Microstructure; Finite elements; Variability; Tantalum
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1341110