Prediction of Deformation Limits for Polycrystalline Materials under Different Straining Paths

National Laboratory: 
Pacific Northwest National Laboratory
Computational Tools Class: 

This is a microstructure-based modeling capability for predicting the deformation limits of polycrystalline materials under different straining paths. The model can be used to examine the effects of various phase properties, including grain orientations, flow behaviors, morphology, volume fraction, and stability (should there be meta-stable phases), on the overall deformation heterogeneity and, hence, deformation limits under different straining paths. The model also can be used to predict the in-plane effective forming limits of polycrystalline materials.

Capability Bounds: 

The model can be used for single- or multi-phase materials and requires individual phase property as input.

Unique Aspects: 

This capability’s uniqueness stems from its ability of not only predicting flow (hardening) behaviors, but also ductility under different straining paths (currently not aware of similar capabilities within other national laboratories).


Computational tools are developed and published by PNNL. They use commercial finite element software, as well as in-house-developed crystal plasticity codes.

Single Point of Contact: 

Name: Erin Barker
Phone: 509-372-4727

  1. X Sun, KS Choi, WN Liu, MA Khaleel. Predicting Failure Modes and Ductility of Dual Phase Steels Using Plastic Strain Localization. International Journal of Plasticity, 25 (2009) 1888–1909.
  2. X Sun, KS Choi, A Soulami, WN Liu, MA Khaleel. On Key Factors Influencing Ductility of Multi-Phase Steels, Material Science and Engineering A, A 526 (2009) 140–149.
  3. KS Choi, WN Liu, X Sun and MA Khaleel. Microstructure-based constitutive modeling of TRIP steel: prediction of ductility and failure modes under different loading conditions. Acta Materialia, Vol 57(2009), 2592-2604.
Supporting Document(s):