79 citations · 182 across the 7 of their papers we have counts for
4 papers · 1 filter
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…
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…
Simple concentration-dependent pair interaction model for large-scale simulations of Fe-Cr alloys
Maximilien Levesque, Enrique Martínez, Chu-Chun Fu +2
This work is motivated by the need for large-scale simulations to extract physical information on the iron-chromium system that is a binary model alloy for ferritic steels used or…