activity
20092026
most citedDislocation Core Energies and Core Fields from First Principles

175 citations · 376 across the 6 of their papers we have counts for

collaborators

6 papers

cond-mat.mtrl-sci2026

Revisiting quantum effects on dislocation glide in bcc metals from DFT calculations and machine-learning potentials

Arnaud Allera, Lisa Ventelon, Mihai-Cosmin Marinica +2

Quantum zero-point effects have been long proposed to explain a well-known discrepancy between the low-temperature flow stresses of body-centered cubic metals and corresponding ato…

cond-mat.mtrl-sci2021★ 34 cited

Mobility of screw dislocation in BCC tungsten at high temperature in presence of carbon

Guillaume Hachet, Daniel Caillard, Lisa Ventelon +1

The interplay of screw dislocations with carbon atoms is investigated in tungsten at high temperature using in situ straining experiments in a transmission electron microscope (TEM…

cond-mat.mtrl-sci2021★ 38 cited

Screw dislocation-carbon interaction in BCC tungsten: an ab initio study

Guillaume Hachet, Lisa Ventelon, François Willaime +1

The interaction between carbon and screw dislocations in tungsten is investigated using ab initio calculations. The presence of carbon atoms in the vicinity of the dislocation indu…

cond-mat.mtrl-sci2012★ 70 cited

Assessment of interatomic potentials for atomistic analysis of static and dynamic properties of screw dislocations in W

David Cereceda, J. Manuel Perlado, Alexander Stukowski +4

Screw dislocations in bcc metals display non-planar cores at zero temperature which result in high lattice friction and thermally activated strain rate behavior. In bcc W, electron…

cond-mat.mtrl-sci2011★ 59 cited

Dislocation core field. II. Screw dislocation in iron

Emmanuel Clouet, Lisa Ventelon, F. Willaime

The dislocation core field, which comes in addition to the Volterra elastic field, is studied for the <111> screw dislocation in alpha-iron. This core field, evidenced and characte…

cond-mat.mtrl-sci2009★ 175 cited

Dislocation Core Energies and Core Fields from First Principles

Emmanuel Clouet, Lisa Ventelon, François Willaime

Ab initio calculations in bcc iron show that a <111> screw dislocation induces a short-range dilatation field in addition to the Volterra elastic field. This core field is modeled…