Atomistic simulations of diffusive phase transformations with non-conservative point defects

F Soisson, M Nastar - MRS Communications, 2022 - Springer
Most of the phase transformations modifying the microstructure, thereby the materials
properties, are controlled by the diffusion of atoms. The rate but also the selection of phase …

APT and TEM study of behaviour of alloying elements in neutron-irradiated zirconium-based alloys

BM Jenkins, J Haley, MP Moody, JM Hyde… - Scripta Materialia, 2022 - Elsevier
In this study, APT and TEM analyses were used to characterise two Zr-based alloys neutron-
irradiated to 13.7 dpa. The high spatial and chemical resolution of these techniques has …

High-temperature effects for transition state calculations in solids

C Ke, C Nie, G Luo - The Journal of Chemical Physics, 2023 - pubs.aip.org
Transition state calculation is a critical technique to understand and predict versatile
dynamical phenomena in solids. However, the transition state results obtained at 0 K are …

STEM/EDS and APT study on the microstructure and microchemistry of neutron irradiated ZIRLOTM

Z Yu, M Bachhav, F Teng, L He, M Dubey… - Journal of Nuclear …, 2023 - Elsevier
A nanoscale characterization study was carried out on SRA ZIRLO™ at various cycles,
aiming to highlight the effect of irradiation-induced alloying element (Sn, Nb, Fe) …

(S) TEM/EDS study of native precipitates and irradiation induced Nb-rich platelets in high-burnup M5®

Z Yu, JW Werden, NA Capps, KD Linton… - Journal of Nuclear …, 2021 - Elsevier
We have investigated microstructure and microchemistry of precipitates and dislocation
loops in high-burnup M5® using (scanning) transmission electron microscopy ((S) TEM) …

Effect of Sn on the formation of< c>-component dislocation loops in Zr alloys: In situ ion irradiation studies and atomistic simulations

J Hu, Q Lv, W Lin - Journal of Nuclear Materials, 2023 - Elsevier
The effect of Sn on the formation of-component dislocation loops was investigated by the
combination of in situ ion irradiation and density functional theory calculations. The size of …

Surface growth, inner defects and interface mixing of Cr coating on Zr alloy irradiated by 5 MeV protons at 400° C

H Chen, C Zhan, W Gong, P Du, R Zhang… - Journal of Nuclear …, 2023 - Elsevier
Surface, inner and interface damages of Cr coatings irradiated by 5 MeV protons were
characterized by XRD, SEM, TEM and nanoindentation in this work. After irradiation, a Cr 7 …

Does Zn mimic diffusion of Al in the HCP Al-Sc-Hf-Ti-Zr high entropy alloys?

S Sen, X Zhang, L Rogal, G Wilde, B Grabowski… - Scripta Materialia, 2023 - Elsevier
The presence of Al in the hexagonal close-packed (HCP) Al-Sc-Hf-Ti-Zr high-entropy-alloy
system was previously found to be a primary reason for partial D0 19 ordering. Since tracer …

[HTML][HTML] Evolution of Zr (Fe, Cr) 2 second phase particles in Zircaloy-2 under heavy ion irradiation

K Lynch, Ö Koç, G Greaves, A Carruthers… - Journal of Nuclear …, 2024 - Elsevier
Abstract The Zr (Fe, Cr) 2 second phase particles (SPPs) found in Zircaloy-2 and-4 are
known to amorphize and dissolve under irradiation. In the present work, their evolution has …

First-principles investigation of lanthanides diffusion in HCP zirconium via vacancy-mediated transport

S Shousha, B Beeler, LK Aagesen… - Journal of Nuclear …, 2024 - Elsevier
The diffusion of lanthanide fission products plays an important role in the growth of the fuel-
cladding chemical interaction (FCCI) region in metallic fuels. The use of a Zr interdiffusion …