25 citations · 28 across the 3 of their papers we have counts for
4 papers · 1 filter
Activation entropy of dislocation glide in body-centered cubic metals from atomistic simulations
Arnaud Allera, Thomas D. Swinburne, Alexandra M. Goryaeva +5
The activation entropy of dislocation glide, a key process controlling the strength of many metals, is often assumed to be constant or linked to enthalpy through the empirical Meye…
Impact of magnetism on screw dislocations in body-centered cubic chromium
Baptiste Bienvenu, Chu Fu, Emmanuel Clouet
The influence of magnetism on the properties of screw dislocations in body-centered cubic chromium is investigated by means of ab initio calculations. Screw dislocations having Bur…
Screw dislocations in BCC transition metals: from ab initio modeling to yield criterion
Emmanuel Clouet, Baptiste Bienvenu, Lucile Dezerald +1
We show here how density functional theory calculations can be used to predict the temperatureand orientation-dependence of the yield stress of body-centered cubic (BCC) metals in…
The impact of stress on the electronic structure of phosphorus allotropes stacked on hexagonal boron nitride
Baptiste Bienvenu, Hakim Amara, François Ducastelle +1
We study the mechanical and electronic properties of heterobilayers composed of black phosphorus (BP) on hexagonal boron nitride (hBN) and of blue phosphorus (\Pblue) on hBN by mea…