A phase-field model for hydride formation in polycrystalline metals: Application to δ-hydride in zirconium alloys

TW Heo, KB Colas, AT Motta, LQ Chen - Acta Materialia, 2019 - Elsevier
We report a phase-field model for simulating metal hydride formation involving large volume
expansion in single-and polycrystals. As an example, we consider δ-hydride formation in α …

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

GM Han, YF Zhao, CB Zhou, DY Lin, XY Zhu, J Zhang… - Acta Materialia, 2019 - Elsevier
Abstract δ-hydride structures in Zr nuclear fuel-rod cladding significantly affect mechanical
properties. A micromechanical phase-field model is developed to investigate the effect of …

Formation path of δ hydrides in zirconium by multiphase field modeling

J Bair, MA Zaeem, D Schwen - Acta Materialia, 2017 - Elsevier
A multiphase field model is developed to study the effects of metastable ζ and γ hydrides on
the nucleation and growth of the stable δ hydrides in α zirconium matrix. The model …

Effects of intergranular hydride precipitation on the mechanical behavior of bicrystalline zirconium: a molecular dynamics-based study

S Patil, A Parashar - Mechanics of Materials, 2024 - Elsevier
This article investigated the impact of intergranular hydride precipitation on the mechanical
behavior of zirconium (Zr) bi-crystals using molecular dynamics (MD)-based simulations …

Combined molecular dynamics and phase field simulation investigations of crystal-melt interfacial properties and dendritic solidification of highly undercooled titanium

S Kavousi, BR Novak, MA Zaeem… - Computational materials …, 2019 - Elsevier
The effects of kinetic and capillary anisotropies on crystal morphology and growth rate
during solidification of titanium are studied using atomistically-informed phase field …

A phase-field model for non-isothermal phase transformation and plasticity in polycrystalline yttria-stabilized tetragonal zirconia

C Cissé, MA Zaeem - Acta Materialia, 2020 - Elsevier
We propose an elastoplastic phase-field (PF) model to investigate the mechanics of
tetragonal-to-monoclinic phase transformation (TMPT) and elastoplastic deformation of …

Quantifying the stress state in the vicinity of a δ-hydride in α-zirconium

H Tummala, L Capolungo, CN Tomé - Journal of Nuclear Materials, 2018 - Elsevier
In zirconium alloys, precipitation of a hydride generally introduces internal stresses in the
surrounding matrix. This study aims at understanding the role of internal stresses on the …

A fast efficient multi-scale approach to modelling the development of hydride microstructures in zirconium alloys

M Patel, L Reali, AP Sutton, DS Balint… - Computational Materials …, 2021 - Elsevier
A mechanistic understanding of hydrogen diffusion and hydride precipitation at the
microscale underpins the prediction of delayed hydride cracking in zirconium alloy nuclear …

[HTML][HTML] A study of δ-hydride precipitation behavior in Zr alloys by phase-field method

M Wei, T Zhai, Y Wang, Z Zhang, K Wang… - Journal of Materials …, 2024 - Elsevier
A phase-field model combined with CALPHAD thermodynamic database was employed to
investigate the microstructure evolution of δ-hydride in Zr alloys during isothermal aging …

Phase-field modeling of hydride reorientation in zirconium cladding materials under applied stress

W Shin, K Chang - Computational Materials Science, 2020 - Elsevier
Zirconium cladding materials undergo hydride-related degradation during the dry storage of
spent nuclear fuel. We investigated the effects of not only internal stress due to the lattice …