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 …

Strengthening due to voids can be a signiEcant effect of radiation damage in metals, but
treatment of this by elasticity theory of dislocations is difficult when the mechanisms …

We present the results of an extensive molecular dynamics study of self-interstitial atom
(SIA) clusters containing up to 37 defects over a wide range of temperatures in iron. A long …

The appearance of Cr-rich precipitates (α′ prime) after thermal aging or irradiation is a
typical feature of high-Cr ferritic/martensitic steels. α′ particles, obstructing the motion of …

Molecular dynamics (MD) simulations were carried out to study the interaction between
nanometric Cr precipitates and a 1/2⟨ 111⟩{110} edge dislocation (ED) in pure Fe and Fe-9 …

Abstract Interaction between a 1/2⟨ 1 1 1⟩{1 1 0} edge dislocation and voids or coherent
bcc Cu precipitates (diameter D= 2 or 4 nm) in Fe with their centre displaced by±Δz from the …

[en] Given the duality of the behavior of dislocations between the elastic theory and the
atomic character of the core structure, multi-scale simulations represent an innovative …

Etant donné la dualité du comportement des dislocations entre la théorie élastique et le
caractère atomique de la structure de coeur, les simulations multi-échelles représentent un …