79 citations · 232 across the 7 of their papers we have counts for
7 papers
Ultra high strength and plasticity mechanisms of Si and SiC nanoparticles revealed by first principles molecular dynamics
Laurent Pizzagalli, Julien Godet
It is now well established that materials are stronger when their dimensions are reduced to submicron scale. However, what happens at dimensions such as a few tens of nanometers or…
Lithiation-delithiation cycles of amorphous Si nanowires investigated by molecular dynamics simulations
Julien Godet, Teute Bunjaku, Mathieu Luisier
The atomistic mechanisms during lithiation and delithiation of amorphous Si nanowires (-SiNW) have been investigated over cycles by molecular dynamics simulations. First, the Mo…
Glissile dislocations with transient cores in silicon
Laurent Pizzagalli, Julien Godet, Sandrine Brochard
We report an unexpected characteristic of dislocation cores in silicon. Using first-principles calculations, we show that all the stable core configurations for a non-dissociated 6…
Theoretical study of dislocation nucleation from simple surface defects in semiconductors
Julien Godet, Laurent Pizzagalli, Sandrine Brochard +1
Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Althoug…
Comparison between classical potentials and ab initio for silicon under large shear
Julien Godet, Laurent Pizzagalli, Sandrine Brochard +1
The homogeneous shear of the {111} planes along the <110> direction of bulk silicon has been investigated using ab initio techniques, to better understand the strain properties of…
Surface step effects on Si (100) under uniaxial tensile stress, by atomistic calculations
Julien Godet, Laurent Pizzagalli, Sandrine Brochard +1
This paper reports a study of the influence of the step at a silicon surface under an uniaxial tensile stress, using an empirical potential. Our aim was to find conditions leading…