Deformation twins grow by the motion of disconnections along their interfaces, thereby coupling shear with migration. Atomic-scale simulations of this mechanism have advanced to the point where the trajectory of each atom ...

We present the results of an extensive molecular dynamics study of selfinterstitial atom (SIA) clusters containing up to 37 defects over a wide range of temperatures in iron. A long simulation time and high statistics of ...

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 and with available experimental or, more ...

The role of edge dislocations as sinks for small radiation induced defects in bcc-Fe is investigated by means of atomistic computer simulation. In this work we investigate by Molecular Statics (T = 0K) the interaction ...

Recently, the presence of basal-prismatic interfaces in hexagonal close packed metals became subject of intensive investigation. We model the {101¯2} twin in magnesium bounded by two types of boundaries, i.e. {101¯2} ...

The interaction of dislocation pile-ups with several tilt grain boundaries (GB) is studied in copper by using a hybrid continuum-atomistic approach. The effects of temperature, pile-up intensity and GB structure on absorption ...