Atomistic modeling of dislocation cross-slip in nickel using free-end nudged elastic band method

D Chen, LL Costello, CB Geller, T Zhu, DL McDowell - Acta Materialia, 2019 - Elsevier
… Here we use the free-end nudged elastic band (FENEB) … pathways and energy barriers of
cross-slip in an FCC single … calculations to determine the activation energy for cross-slip of a …

Stress effects on the energy barrier and mechanisms of cross-slip in FCC nickel

WP Kuykendall, Y Wang, W Cai - Journal of the Mechanics and Physics of …, 2020 - Elsevier
… in the cross-slip plane and a stair rod dislocation at the intersection between the glide plane
and … We have calculated the energy barrier for cross-slip in FCC nickel by searching for …

Dislocation cross-slip in fcc solid solution alloys

WG Nöhring, WA Curtin - Acta Materialia, 2017 - Elsevier
… the cross-slip mechanism and the associated activation energy Δ … Al, using the Nudged
Elastic Band [71] method. The … Recall that our explicit cross-slip transition state computations

Cross-slip in face-centered cubic metals: a general Escaig stress-dependent activation energy line tension model

A Malka-Markovitz, D Mordehai - Philosophical Magazine, 2018 - Taylor & Francis
Using the nudged elastic band technique (NEB) to find the … on the surface, due to intersections
with other dislocation [Citation… shall calculate the dissociation in the primary and cross-slip

Kinetics of dislocation cross-slip: A molecular dynamics study

E Oren, E Yahel, G Makov - Computational Materials Science, 2017 - Elsevier
… to obtain cross-slip activation parameters by MD calculations were … -centered cubic (FCC)
metals, the activation energy and the … for the activation energy for cross-slip of 1.05 eV ± 15%. …

[HTML][HTML] Modeling the effect of short-range order on cross-slip in an FCC solid solution

A Abu-Odeh, M Asta - Acta Materialia, 2022 - Elsevier
cross-slip in disordered FCC solid solution alloys have shown that an increase in alloy
concentration increases the spread of cross-slip activation energy … , the calculated DAPB energies

Cross-slip in face centred cubic metals: a general full stress-field dependent activation energy line-tension model

A Malka-Markovitz, D Mordehai - Philosophical Magazine, 2019 - Taylor & Francis
… ) metals in order to calculate the energy barrier when both … [Citation17] used the nudged
elastic band technique (NEB) … at screw dislocation intersections in face-centered cubic nickel …

The effect of stress on the cross-slip energy in face-centered cubic metals: A study using dislocation dynamics simulations and line tension models

M Longsworth, M Fivel - Journal of the Mechanics and Physics of Solids, 2021 - Elsevier
… were used to calculate the energy barrier of cross-slip via … plane and the other remains
sessile at the intersection of the two … They found that the stress-free activation energy in Cu is 1.9 …

Dislocation Cross-Slip in Face-Centered Cubic Solid Solution Alloys

WG Nöhring - 2018 - infoscience.epfl.ch
… considered cross-slip at mildly attractive intersections with forest … Al, using the Nudged Elastic
Band [81] method. The … to motivate calculation of the activation energy ΔEact for cross-slip, …

On the cross-slip of screw dislocations in zirconium

Y Li, S Chatterjee, E Martinez, N Ghoniem, G Po - Acta Materialia, 2021 - Elsevier
… (SF) ribbon constricts at the intersection of primary and conjugate … methods, such as the
nudged elastic band method and the … proceed with calculations of cross-slip energetics using the …