The size limitation of ab initio calculations impedes first-principles simulations of crystal defects at nanometer sizes. Considering clusters of self-interstitial atoms as a paradigm for …
Abstract Fe and Fe-Cr (Cr= 10–16 at.%) specimens were neutron-irradiated at 300° C to 0.01, 0.1 and 1 dpa. The TEM observations indicated that the Cr significantly reduced the …
We propose a powerful extension to combined molecular and spin dynamics that fully captures the coupling between the atomic and spin subsystems via spin-orbit interactions. Its …
The accurate and fast identification of crystallographic defects plays a key role for the analysis of atomistic simulation output data. For face-centered cubic (fcc) metals, most …
J Gao, L Cui, F Wan - Materials Characterization, 2016 - Elsevier
The microstructure of pure vanadium after hydrogen ion irradiation at room temperature to a fluence of 1× 10 17 ions/cm 2 (and 5× 10 16 ions/cm 2) was investigated by transmission …
The influence of surfaces on the evolution of damage of irradiated Fe is studied using object kinetic Monte Carlo with input from molecular dynamics simulations and ab initio …
The type of damage observed under transmission electron microscopy (TEM) in bcc Fe and FeCr alloys under irradiation is very dependent on the irradiation conditions. At high doses …
We report the observation of the generation of dislocations in single-crystal phase-change In 2 Se 3 nanowires under electrical pulses and the impact of these dislocations on electrical …
The structural materials in nuclear reactors are subjected to severe irradiation conditions, leading to changes in their mechanical properties. The aging of these materials raises …