TY - GEN
T1 - Mechanisms of Mesoscale Hydride Morphology and Reorientation in a Polycrystal Investigated Using Phase-Field Modeling
AU - Simon, Pierre Clément A.
AU - Chen, Long Qing
AU - Daymond, Mark R.
AU - Motta, Arthur T.
AU - Tonks, Michael R.
N1 - Funding Information:
This work was performed with the support of the U.S. Department of Energy NEUP IRP-17-13708 project “Development of a Mechanistic Hydride Behavior Model for Spent Fuel Cladding Storage and Transportation.” This research made use of the resources of the High Performance Computing Center at Idaho National Laboratory, which is supported by the Office of Nuclear Energy of the U.S. Department of Energy and the Nuclear Science User Facilities under Contract No. DE-AC07-05ID14517.
Publisher Copyright:
Copyright © 2023 by ASTM International, 100 Barr Harbor Drive, PO Box C700, West Conshohocken, PA 19428-2959.
PY - 2023
Y1 - 2023
N2 - This study focuses on the precipitation of nanoscale hydrides in polycrystalline zirconium as a first step to predicting the hydride morphology observed experimentally and investigating the mechanisms responsible for hydride reorientation at the mesoscale. A quantitative phase-field model, which includes the elastic anisotropy of the nanoscale zirconium hydride system, is developed to investigate the mechanism of hydride reorientation in which the presence of an applied hoop stress promotes hydride precipitation in grains with basal poles aligned with the circumferential direction. Although still elongated along the basal plane of the hexagonal matrix, nanoscale hydrides growing in grains oriented perpendicular to the applied stress appear radial at the mesoscale. Thus, a preferential hydride precipitation in grains with basal poles aligned parallel to the applied stress could account for mesoscale hydride reorientation. This mechanism is consistent with experimental observations performed in other studies.
AB - This study focuses on the precipitation of nanoscale hydrides in polycrystalline zirconium as a first step to predicting the hydride morphology observed experimentally and investigating the mechanisms responsible for hydride reorientation at the mesoscale. A quantitative phase-field model, which includes the elastic anisotropy of the nanoscale zirconium hydride system, is developed to investigate the mechanism of hydride reorientation in which the presence of an applied hoop stress promotes hydride precipitation in grains with basal poles aligned with the circumferential direction. Although still elongated along the basal plane of the hexagonal matrix, nanoscale hydrides growing in grains oriented perpendicular to the applied stress appear radial at the mesoscale. Thus, a preferential hydride precipitation in grains with basal poles aligned parallel to the applied stress could account for mesoscale hydride reorientation. This mechanism is consistent with experimental observations performed in other studies.
KW - experimental comparison
KW - hydride reorientation
KW - microstructure evolution
KW - nuclear materials
KW - phase-field modeling
KW - polycrystal
KW - zirconium hydrides
UR - https://www.scopus.com/pages/publications/85183937815
U2 - 10.1520/STP1645202200696
DO - 10.1520/STP1645202200696
M3 - Conference contribution
AN - SCOPUS:85183937815
T3 - ASTM Special Technical Publication
SP - 807
EP - 830
BT - Zirconium in the Nuclear Industry
PB - ASTM International
T2 - 20th International Symposium on Zirconium in the Nuclear Industry
Y2 - 20 June 2022 through 23 June 2022
ER -