Effect of Zr and Al addition on nanocluster formation in oxide dispersion strengthened steel-An ab initio study

S Mohan, G Kaur, BK Panigrahi, C David… - Journal of Alloys and …, 2018 - Elsevier
Conventional oxide dispersion strengthened steels are characterized by thermally stable,
high density of Y–Ti–O nanoclusters which are responsible for their high creep strength. Ti …

Diffusion of yttrium in bcc-iron studied by kinetic Monte Carlo simulations

M Mock, K Albe - Journal of Nuclear Materials, 2017 - Elsevier
The formation of oxide nanoclusters in oxide dispersion strengthened steels is controlled by
the diffusion of yttrium. Yttrium atoms and other oversized solutes show a high binding …

Long-term thermal stability of nanoclusters in ODS-Eurofer steel: An atom probe tomography study

KD Zilnyk, KG Pradeep, P Choi, HRZ Sandim… - Journal of Nuclear …, 2017 - Elsevier
Oxide-dispersion strengthened materials are important candidates for several high-
temperature structural applications in advanced nuclear power plants. Most of the desirable …

Nucleation of Y–Si–O nano-clusters in multi-microalloyed nano-structured ferritic alloys: a first-principles study

S He, Q Qian, Z Huang, Y Gong, J Chen… - Acta Metallurgica Sinica …, 2021 - Springer
First-principles energetics analyses were performed to investigate the nucleation of (Y–Si–
O) nano-clusters (NCs) in nano-structured ferritic alloys (NFAs). It was predicted that the …

Preferential nucleation of (O, Y/La/Ce/Hf)-core nano-clusters in multi-element micro-alloyed ferritic alloys: A first-principles study

Y Gong, S He, J Zhang, Y Wang, Y Jiang - Journal of Applied Physics, 2023 - pubs.aip.org
The high creep strength and high radiation resistance of nanostructured ferritic alloys (NFAs)
have been generally attributed to the high-density precipitation of (O, Y)-core nano-clusters …

Investigation of spark plasma sintered oxide-dispersion strengthened steels by means of small-angle neutron scattering

I Hilger, F Bergner, A Ulbricht, A Wagner… - Journal of Alloys and …, 2016 - Elsevier
Spark plasma sintering (SPS) is an advanced consolidation technique, which particularly
allows coarsening of the microstructure to be limited. The basis for the characteristics of the …

Mutual dependence of oxygen and vacancy diffusion in bcc Fe and dilute iron alloys

X Wang, J Faßbender, M Posselt - Physical Review B, 2020 - APS
A combination of density functional theory (DFT) and an efficient calculation method based
on atomistic kinetic Monte Carlo simulations (AKMC) is used to investigate the …

Modelling of dislocation-solute interaction in ODS steels: Analytic bond-order potential for the iron-yttrium system

M Mock, K Albe - Journal of Nuclear Materials, 2018 - Elsevier
An interatomic potential for iron-yttrium is presented that allows to investigate the diffusion of
yttrium in iron. The potential provides a complete description of the elastic and thermal …

Influence of phonon and electron excitations on the free energy of defect clusters in solids: a first-principles study

M Posselt, D Murali, M Schiwarth - Computational Materials Science, 2017 - Elsevier
Although many processes of nanostructure evolution in solids occur at elevated
temperatures, basic data obtained from ground state energetics are used in the modeling of …

First-Principles Calculations of Y-Si-O Nanoclusters and Effect of Si on Microstructure and Mechanical Properties of 12Cr ODS Steel in Vacuum Sintering System

F Su, G Xu, Z Yao, H Liu, Y Chen - Metals, 2022 - mdpi.com
High density of thermally stable Y-Si-O nanoparticles dispersed in the Fe matrix play a
primary role in oxide dispersion strengthened (ODS) steel. In this study, the binding energies …