87 citations · 349 across the 11 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…
Mechanical behavior of InP twinning superlattice nanowires
Z. Liu, I. Papadimitriou, M. Castillo-Rodríguez +6
Taper-free InP twinning superlattice (TSL) nanowires with an average twin spacing of ~ 13 nm were grown along the zinc-blende close-packed [111] direction using metalorganic vapor…
Strengthening of Al-Cu alloys by Guinier-Preston zones: predictions from atomistic simulations
G. Esteban-Manzanares, B. Bellón, E. Martínez +2
A scale bridging strategy based in molecular statics and molecular dynamics simulations in combination with transition state theory has been developed to determine the flow stress…
An atomistic investigation of the interaction of dislocations with Guinier-Preston zones in Al-Cu alloys
G. Esteban-Manzanares, E. Martínez, J. Segurado +2
The interaction between edge dislocations and Guinier-Preston zones in an Al-Cu alloy was analyzed by means of atomistic simulations. The different thermodynamic functions that det…
Discrete dislocation dynamics simulations of dislocation- precipitate interaction in Al-Cu alloys
R. Santos-Güemes, G. Esteban-Manzanares, I. Papadimitriou +3
The mechanisms of dislocation/precipitate interaction were studied by means of discrete dislocation dynamics within a multiscale approach. Simulations were carried out using the di…
A multidisciplinary approach to study precipitation kinetics and hardening in an Al-4Cu (wt. %) alloy
A. Rodríguez-Veiga, B. Bellón, I. Papadimitriou +3
A multidisciplinary approach is presented to analyse the precipitation process in a model Al-Cu alloy. Although this topic has been extensively studied in the past, most of the inv…