16 citations · 22 across the 5 of their papers we have counts for
11 papers
First principles prediction of the Al-Li phase diagram
S. Liu, G. Esteban-Manzanares, J. LLorca
The phase diagram of the Al-Li system was determined by means of first principles calculations in combination with the cluster expansion formalism and statistical mechanics. The gr…
First principles analysis of precipitation in Mg-Zn alloys
S. Liu, G. Esteban-Manzanares, J. LLorca
Precipitation in Mg-Zn alloys was analyzed by means of first principles calculations. Formation energies of symmetrically distinct hcp Mg1-xZnx (0 < x < 1) configurations were dete…
Atomistic simulations of the interaction of basal dislocations with MgZn precipitates in Mg alloys
G. Esteban-Manzanares, R. Alizadeh, I. Papadimitriou +3
The interaction between Mg edge basal dislocations and rod-shaped -MgZn precipitates was studied by atomistic simulations using a new interatomic potential. The atomistic…
Multiscale modelling of precipitation hardening in Al-Cu alloys: dislocation dynamics simulations and experimental validation
R. Santos-Güemes, B. Bellón, G. Esteban-Manzanares +3
The mechanisms of dislocation/precipitate interactions were analyzed in an Al-Cu alloy containing a homogeneous dispersion of precipitates by means of discrete dislocation dyn…
Influence of the stress state on the cross-slip free energy barrier in Al: an atomistic investigation
G. Esteban-Manzanares, R. Santos-Güemes, . Papadimitriou +2
The influence of the stress state on the cross-slip rate in Al was analyzed by means of molecular dynamics simulations and transition state theory. The activation energy barrier in…
Basal dislocation/precipitate interactions in Mg-Al alloys: an atomistic investigation
Gustavo Esteban-Manzanares, Anxin Ma, Ioannis Papadimitriou +2
The interaction between edge basal dislocations and -MgAl precipitates was studied using atomistic simulations. A strategy was developed to insert a lozenge-shaped…