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 …
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 …
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 …
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 …
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 …
Abstract We improve the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) algorithm by integrating the Activation Relaxation Technique nouveau (ARTn), a powerful open-ended …
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 …
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 …
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 …