Atomic-scale modeling of dislocations and related properties in the hexagonal-close-packed metals

DJ Bacon, V Vitek - Metallurgical and Materials Transactions A, 2002 - Springer
Metals with the hcp crystal structure have a wide variety of mechanical and physical
properties, and understanding the links between atomic processes, microstructure, and …

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

PM Derlet, D Nguyen-Manh, SL Dudarev - Physical Review B—Condensed …, 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 …

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 …

[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 …

MD description of damage production in displacement cascades in copper and α-iron

DJ Bacon, YN Osetsky, R Stoller… - Journal of nuclear …, 2003 - Elsevier
Molecular dynamics computer simulation was applied for an extensive study of primary
damage creation in displacement cascades in copper and α-iron. Primary knock-on atom …

Dimensionality of interstitial cluster motion in bcc-Fe

DA Terentyev, L Malerba, M Hou - Physical Review B—Condensed Matter and …, 2007 - APS
We study self-interstitial cluster migration properties, such as dimensionality of the motion
and activation energy barrier, as functions of the cluster size, by means of molecular …

Dynamics of self-interstitial cluster migration in pure α-Fe and Fe-Cu alloys

J Marian, BD Wirth, A Caro, B Sadigh, GR Odette… - Physical review B, 2002 - APS
We report the results of molecular dynamics simulations of self-interstitial cluster diffusion in
pure α-Fe and in a dilute Fe–1.0 at.% Cu alloy for a number of cluster sizes, n<~ 20. We find …

Direct observation of the coalescence process between nanoscale dislocation loops with different Burgers vectors

K Arakawa, T Amino, H Mori - Acta materialia, 2011 - Elsevier
The dynamic behavior of nanoscale prismatic dislocation loops can significantly affect the
microstructural variation in crystalline materials upon processes such as plastic deformation …

Insight into defect cluster annihilation at grain boundaries in an irradiated nanocrystalline iron

CY Hung, G Vetterick, E Hopkins, JK Balwin… - Journal of Nuclear …, 2022 - Elsevier
The design of radiation-tolerant polycrystalline materials has been mainly based on the
control and manipulation of grain boundaries (GBs) that leads to annihilation of point defects …

Coherent motion of interstitial defects in a crystalline material

SL Dudarev - Philosophical Magazine, 2003 - Taylor & Francis
Thermally activated Brownian motion of interstitial defects is one of the factors driving the
evolution of microstructure of crystalline metals under irradiation. In the limit of relatively …