While surfaces are known to have a limited impact on the mechanical properties of
crystalline materials at the macroscopic scale, they play a key role at small-scale behaving …

Neutron irradiation of zirconium alloys leads to the formation of high densities of small
dislocation loops. Their interactions with gliding dislocations are responsible for hardening …

Ab initio simulations of dislocations are essential to build quantitative models of material
strength, but the required system sizes are often at or beyond the limit of existing methods …

Computational models can support materials development by identifying the key factors that
affect material properties and by guiding the search for optimal chemical and processing …