Opportunities and limitations for ion beams in radiation effects studies: Bridging critical gaps between charged particle and neutron irradiations

SJ Zinkle, LL Snead - Scripta Materialia, 2018 - Elsevier
Ion beams are indispensible for understanding radiation effects in materials, enabling
access to conditions challenging to perform with neutrons. However, ion irradiations can …

Multiscale modeling of crowdion and vacancy defects in body-centered-cubic transition metals

PM Derlet, D Nguyen-Manh, SL Dudarev - Physical Review B, 2007 - APS
We investigate the structure and mobility of single self-interstitial atom and vacancy defects
in body-centered-cubic transition metals forming groups 5B (vanadium, niobium, and …

Multiscale modelling of defect kinetics in irradiated iron

CC Fu, JD Torre, F Willaime, JL Bocquet, A Barbu - Nature materials, 2005 - nature.com
Abstract Changes in microstructure and mechanical properties of nuclear materials are
governed by the kinetics of defects produced by irradiation. The population of vacancies …

Stability and Mobility of Mono- and Di-Interstitials in -Fe

CC Fu, F Willaime, P Ordejón - Physical review letters, 2004 - APS
We report a detailed ab initio study of the stability and migration of self-interstitial atoms
(SIAs) and di-interstitials (di-SIAs) in α-Fe. The⟨ 110⟩ dumbbell is confirmed to be the most …

Observation of the one-dimensional diffusion of nanometer-sized dislocation loops

K Arakawa, K Ono, M Isshiki, K Mimura, M Uchikoshi… - Science, 2007 - science.org
Dislocations are ubiquitous linear defects and are responsible for many of the properties of
crystalline materials. Studies on the glide process of dislocations in bulk materials have …

Comparison of empirical interatomic potentials for iron applied to radiation damage studies

L Malerba, MC Marinica, N Anento, C Björkas… - Journal of Nuclear …, 2010 - Elsevier
The performance of four recent semi-empirical interatomic potentials for iron, developed or
used within the FP6 Perfect Project, is evaluated by comparing them between themselves …

[HTML][HTML] Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys–Part I: Pure Fe

L Malerba, N Anento, JP Balbuena, CS Becquart… - Nuclear Materials and …, 2021 - Elsevier
This paper is the first of three that overview the main mechanisms that drive the
microstructure evolution in Fe alloys under irradiation. It focuses on pure α-Fe and compiles …

One-dimensional fast migration of vacancy clusters in metals

Y Matsukawa, SJ Zinkle - Science, 2007 - science.org
The migration of point defects, for example, crystal lattice vacancies and self-interstitial
atoms (SIAs), typically occurs through three-dimensional random walk in crystalline solids …

Microstructure of neutron-irradiated iron before and after tensile deformation

SJ Zinkle, BN Singh - Journal of nuclear materials, 2006 - Elsevier
Tensile specimens of pure Fe were neutron irradiated at 50–70° C in three fission reactors to
displacement dose levels of 0.0001–0.79 displacements per atom (dpa). Irradiated …

Using lifetime of point defects for dislocation bias in bcc Fe

J Hao, L Casillas-Trujillo, H Xu - Current Opinion in Solid State and …, 2022 - Elsevier
The interaction between dislocations and point defects is key to deformation processes and
microstructural evolution of structural materials. In this work, we compute the lifetime of point …