activity
19992023
most citedAb initio molecular dynamics calculations of threshold displacement energies in silicon carbide

120 citations · 758 across the 20 of their papers we have counts for

collaborators

20 papers

cond-mat.mtrl-sci2023

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…

cond-mat.mtrl-sci2023★ 2 cited

Tailoring the plasticity of topologically close-packed phases via the crystals' fundamental building blocks

Wei Luo, Zhuocheng Xie, Siyuan Zhang +10

Brittle topologically close-packed precipitates form in many advanced alloys. Due to their complex structures little is known about their plasticity. Here, we present a strategy to…

cond-mat.mtrl-sci2019★ 8 cited

Atomic and electronic structures of a vacancy in amorphous silicon

Andreas Pedersen, Laurent Pizzagalli, Hannes Jonsson

Locally, the atomic structure in well annealed amorphous silicon appears similar to that of crystalline silicon. We address here the question whether a point defect, specifically a…

cond-mat.mtrl-sci2009★ 40 cited

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…

cond-mat.mtrl-sci2008★ 52 cited

Theoretical study of kinks on screw dislocation in silicon

Laurent Pizzagalli, Andreas Pedersen, Andri Arnaldsson +2

Theoretical calculations of the structure, formation and migration of kinks on a non-dissociated screw dislocation in silicon have been carried out using density functional theory…

cond-mat.other2007★ 24 cited

Effects of temperature and surface step on the incipient plasticity in strained aluminium studied by atomistic simulations

Pierre Hirel, Sandrine Brochard, Laurent Pizzagalli +1

Atomistic simulations using an EAM potential are carried out to investigate the first stages of plasticity in aluminum slabs, in particular the effect of both temperature and step…