Primary Radiation Damage in Materials. Review of Current Understanding and Proposed New Standard Displacement Damage Model to Incorporate in Cascade …

K Nordlund, AE Sand, F Granberg, SJ Zinkle, R Stoller… - 2015 - inis.iaea.org
Executive summary One of the consequences of the interaction of high energy particles
(photons, neutrons, ions or electrons) with crystalline materials is the formation of lattice …

Self-evolving atomistic kinetic Monte Carlo simulations of defects in materials

H Xu, RE Stoller, LK Béland, YN Osetsky - Computational Materials Science, 2015 - Elsevier
The recent development of on-the-fly atomistic kinetic Monte Carlo methods has led to an
increased amount attention on the methods and their corresponding capabilities and …

Displacement cascades and defects annealing in tungsten, Part I: Defect database from molecular dynamics simulations

W Setyawan, G Nandipati, KJ Roche… - Journal of Nuclear …, 2015 - Elsevier
Molecular dynamics simulations have been used to generate a comprehensive database of
surviving defects due to displacement cascades in bulk tungsten. Twenty-one data points of …

Analysis of obstacle hardening models using dislocation dynamics: application to irradiation-induced defects

C Sobie, N Bertin, L Capolungo - Metallurgical and Materials Transactions …, 2015 - Springer
Irradiation hardening in α α-iron represents a critical factor in nuclear reactor design and
lifetime prediction. The dispersed barrier hardening, Friedel Kroupa Hirsch (FKH), and …

Formation of prismatic loops from C15 Laves phase interstitial clusters in body-centered cubic iron

Y Zhang, XM Bai, MR Tonks, SB Biner - Scripta materialia, 2015 - Elsevier
This work reports the transformation of C15 Laves phase interstitial clusters to prismatic
loops in body-centered cubic iron. Molecular dynamics simulations and elasticity analysis …

Energetics and kinetics unveiled on helium cluster growth in tungsten

J Wang, LL Niu, X Shu, Y Zhang - Nuclear Fusion, 2015 - iopscience.iop.org
The energetics and kinetics regarding helium (He) cluster growth in bcc tungsten (W) are
unveiled using combined techniques of molecular statics and molecular dynamics. The …

Interstitial loop transformations in FeCr

LK Béland, YN Osetsky, RE Stoller, H Xu - Journal of Alloys and …, 2015 - Elsevier
Abstract We improve the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) algorithm
by integrating the Activation Relaxation Technique nouveau (ARTn), a powerful open-ended …

Dislocation depinning from nano-sized irradiation defects in a bcc iron model

J Dérès, L Proville, MC Marinica - Acta Materialia, 2015 - Elsevier
At the atomic level, irradiation hardening of a body-centered-cubic (bcc) crystal of iron is
investigated through the study of a dislocation interaction with nano-sized obstacles of …

Effect of Cr content on the nanostructural evolution of irradiated ferritic/martensitic alloys: An object kinetic Monte Carlo model

M Chiapetto, L Malerba, CS Becquart - Journal of Nuclear Materials, 2015 - Elsevier
Self-interstitial cluster diffusivity in Fe–Cr alloys, model materials for high-Cr
ferritic/martensitic steels, is known to be reduced in a non-monotonic way as a function of Cr …

Kinetic activation–relaxation technique and self-evolving atomistic kinetic Monte Carlo: Comparison of on-the-fly kinetic Monte Carlo algorithms

LK Béland, YN Osetsky, RE Stoller, H Xu - Computational Materials Science, 2015 - Elsevier
We present a comparison of the Kinetic Activation–Relaxation Technique (k-ART) and the
Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC), two off-lattice, on-the-fly Kinetic …