Recent advances in modeling and simulation of the exposure and response of tungsten to fusion energy conditions

J Marian, CS Becquart, C Domain, SL Dudarev… - Nuclear …, 2017 - iopscience.iop.org
Under the anticipated operating conditions for demonstration magnetic fusion reactors
beyond ITER, structural and plasma-facing materials will be exposed to unprecedented …

Density functional theory models for radiation damage

SL Dudarev - Annual Review of Materials Research, 2013 - annualreviews.org
Density functional theory models developed over the past decade provide unique
information about the structure of nanoscale defects produced by irradiation and about the …

α′ precipitation in neutron-irradiated Fe–Cr alloys

M Bachhav, GR Odette, EA Marquis - Scripta Materialia, 2014 - Elsevier
A series of model Fe–Cr alloys containing 3–18 at.% Cr was neutron irradiated at a nominal
temperature of 563 K to 1.82 dpa. Solute distributions were analyzed by atom probe …

Flux effects in precipitation under irradiation–Simulation of Fe-Cr alloys

JH Ke, ER Reese, EA Marquis, GR Odette, D Morgan - Acta Materialia, 2019 - Elsevier
Radiation-enhanced precipitation of Cr-rich α′ in irradiated Fe-Cr alloys, which results in
hardening and embrittlement, depends on the irradiating particle and the displacement per …

[HTML][HTML] Barrier-free predictions of short-range ordering/clustering kinetics in binary FCC solid solutions

A Abu-Odeh, BP Uberuaga, M Asta - Acta Materialia, 2023 - Elsevier
We present comparisons of kinetic Monte Carlo (kMC) simulations of isothermal short-range
ordering (SRO) and clustering (SRC) kinetics in binary FCC alloys with a mean-field …

Radiation-accelerated precipitation in Fe–Cr alloys

F Soisson, T Jourdan - Acta Materialia, 2016 - Elsevier
The kinetics of phase separation in Fe–Cr alloys under irradiation is modeled by Atomistic
kinetic Monte Carlo simulations that include the formation, migration and elimination of …

An overview of the recurrent failures of duplex stainless steels

CR de Farias Azevedo, HB Pereira, S Wolynec… - Engineering Failure …, 2019 - Elsevier
The favourable combination of mechanical and corrosion properties of ferritic-austenitic
duplex stainless steels (DSSs) makes this class of materials widely employed in many …

Modeling radiation induced segregation in iron–chromium alloys

O Senninger, F Soisson, E Martínez, M Nastar, CC Fu… - Acta Materialia, 2016 - Elsevier
Radiation induced segregation in ferritic Fe–Cr alloys is studied by Atomistic Kinetic Monte
Carlo simulations that include diffusion of chemical species by vacancy and interstitial …

Interaction between vacancies and interstitial solutes (C, N, and O) in : From electronic structure to thermodynamics

C Barouh, T Schuler, CC Fu, M Nastar - Physical Review B, 2014 - APS
The interplay between vacancies (V) and interstitial solutes X (X= C, N, and O) and its impact
on thermodynamic properties of α-Fe solid solutions are studied, starting from first principles …

Mechanism of nucleation and incipient growth of Re clusters in irradiated W-Re alloys from kinetic Monte Carlo simulations

CH Huang, L Gharaee, Y Zhao, P Erhart, J Marian - Physical Review B, 2017 - APS
High-temperature, high-dose, neutron irradiation of W results in the formation of Re-rich
clusters at concentrations one order of magnitude lower than the thermodynamic solubility …