Phase-field modeling of stacking structure formation and transition of δ-hydride precipitates in zirconium

Journal Article · Fri Feb 01 04:00:00 EST 2019 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2018.12.009· OSTI ID:1489220

Han, G. M.; Zhao, Y. F.; Zhou, C. B.; Lin, De-Ye; Zhu, X. Y.; Zhang, J.; Hu, S. Y.; Song, H. F.

d-hydride structures in Zr nuclear fuel-rod cladding significantly affect mechanical properties. In this work, a micromechanical phase-field model is developed to investigate the effect of interfacial energy anisotropy and elastic interaction on the nucleation, stacking structure formation, and stacking structure transition of d-hydride precipitates. It is found that the nucleation probability and growth of d-hydride near pre-existing hydrides are strongly spatially dependent. Results show that (1) the d-hydride precipitate has a platelet-like shape. The large shear deformation associated with lattice mismatches and a small interfacial energy of its broad interface cause the orientation of the plate-like d-hydride off the basal plane a small angle of approximately 14.7°. (2) Stress-induced nucleation of d-hydride precipitates near a pre-existing hydride results in the unique stacking structure formation of d-hydride precipitates. (3) The morphology and alignment of hydride stacking structures, called as macroscopic hydrides which consist of microscopic hydrides with certain stacking sequences, change under stresses. The alignment of macroscopic hydrides changes from along the circumferential direction to along the radial direction under tensile hoop stress while the orientation of microscopic hydrides remains parallel to the basal plane. These results are in agreement with experimental observations. The simulations reveal that stress-induced heterogeneous nucleation and growth is the mechanism for the formation and transition of unique macro-hydride stacking structures observed in in Zr nuclear fuel-rod cladding.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1489220
• Report Number(s): PNNL-SA-140354
• Journal Information: Acta Materialia, Journal Name: Acta Materialia Journal Issue: C Vol. 165; ISSN 1359-6454
• Publisher: Elsevier
• Country of Publication: United States
• Language: English