A sensitivity analysis of twinning crystal plasticity finite element model using single crystal and poly crystal Zircaloy

Kulkarni, Shank S.; Venkatraman, Aditya; Senor, David J.; Devanathan, Ram

doi:10.1016/j.commatsci.2023.112425

A sensitivity analysis of twinning crystal plasticity finite element model using single crystal and poly crystal Zircaloy

Journal Article · Thu Aug 24 00:00:00 EDT 2023 · Computational Materials Science

DOI:https://doi.org/10.1016/j.commatsci.2023.112425· OSTI ID:2204886

Kulkarni, Shank S. ^[1]; Venkatraman, Aditya ^[2]; Senor, David J. ^[2]; ^[2]

Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Univ. of Tennessee, Knoxville, TN (United States)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

The popularity of crystal plasticity finite element method (CPFEM) models is increasing due to their ability to predict the mechanical response of crystalline materials such as metals and metal alloys more accurately than traditional continuum mechanics models. This is since the crystal plasticity models consider the effect of atomic structure, microstructural morphology, and properties of individual grains. These CPFEM models use a large number of material parameters in order to capture the mesoscale physics which comes with the downside of the tedious calibration process. In this paper, a CPFEM code was developed to include the twinning induced grain reorientation and subsequent crystallographic slip for HPC material. The developed code is incorporated in a large-scale, parallelized nonlinear solver WARP3D. Further, a sensitivity analysis with respect to 22 material parameters was then conducted using single crystal and polycrystal representative volume element (RVE) of Zircaloy material. Loading was applied along five different crystallographic orientations for single crystal RVE and along three directions namely, rolling (RD), transverse (TD), and normal (ND) direction for polycrystal RVE. Results obtained from the sensitivity analysis were used for the calibration of material parameters for Zircaloy. Finally, developed code along with calibrated material parameters was used to investigate the effect of the hydride phase formation in Zircaloy which is a typical case observed for nuclear applications. It was found that the volume fraction of the hydride phase has a significant impact on the mechanical properties of Zircaloy.

View Accepted Manuscript (DOE)

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 2204886

Report Number(s):: PNNL-SA--179404

Journal Information:: Computational Materials Science, Journal Name: Computational Materials Science Vol. 230; ISSN 0927-0256

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
CPFEM
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crystal plasticity
finite element analysis
hydrides
sensitivity analysis
twinning

A sensitivity analysis of twinning crystal plasticity finite element model using single crystal and poly crystal Zircaloy

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