Atomic-level simulations are used to investigate the interaction of an edge dislocation with〈
100〉 interstitial dislocation loops in α-iron at 300K. Dislocation reactions are studied …

Atomic processes and strengthening effects due to interaction between edge dislocations
and voids in α-iron have been investigated by means of molecular dynamics with a recently …

A new computational method for the elastic interaction between dislocations and
precipitates is developed and applied to the solution of problems involving dislocation …

The effects of intergranular P segregation and hardening on the ductile-to-brittle transition
temperature (DBTT) in several neutron-irradiated reactor pressure vessel steels with …

Molecular dynamics simulation is one of the most useful methods to model defect generation
and subsequent change in mechanical properties in material that will suffer irradiation in the …

Résumé Nous passons en revue des résultats récents obtenus par simulations en
Dynamique Moléculaire (DM) sur les mécanismes élémentaires d'interaction entre …

Molecular dynamics simulations of the interaction between a screw dislocation and a 3.5 nm
diameter bcc Cu precipitate in bcc Fe have been performed in the twinning and antitwinning …

This paper provides the results of the MD simulations of the interaction between a screw
dislocation and a copper precipitate in iron. From the results, the screw dislocation has an …

Mechanisms of neutron irradiation hardening in phosphorus (P)-doped, sulfur (S)-doped,
and copper (Cu)-doped ferritic alloys have been studied by applying a rate theory to the …

To enable computational design of advanced steels for reactor pressure vessels and core
structural components, we present a new computational method for studies of the interaction …