129 citations · 1.1k across the 61 of their papers we have counts for
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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…
Simulation of the Hall-Petch effect in FCC polycrystals by means of strain gradient crystal plasticity and FFT homogenization
S. Haouala, S. Lucarini, J. LLorca +1
The influence of grain size on the flow stress of various FCC polycrystals (Cu, Al, Ag and Ni) has been analyzed by means of computational homogenization of a representative volume…
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…
Effect of slip transmission at grain boundaries in Al bicrystals
S. Haouala, R. Alizadeh, T. R. Bieler +2
The effect of slip transfer on the deformation mechanisms of Al bicrystals was explored using a rate-dependent dislocation-based crystal plasticity model. Three different types of…
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…
High-throughput extraction of the anisotropic interdiffusion coefficients in hcp Mg-Al alloys
Jingya Wang, Weisen Zheng, Guanglong Xu +2
A high-throughput experimental approach is presented to extract the anisotropic interdiffusion coefficient by combining information over the composition profiles obtained by the el…
Effect of Grain Orientation and Local Strains on Void Growth and Coalescence in Titanium
Marina Pushkareva, Federico Sket, Javier Segurado +3
Ductile fracture has been extensively studied in metals with weak mechanical anisotropy such as copper and aluminum. The fracture of more anisotropic metals, especially those with…
Alloy Design for Mechanical Properties: Conquering the Length Scales
Irene J. Beyerlein, Shuozhi Xu, Javier LLorca +3
Predicting the structural response of advanced multiphase alloys and understanding the underlying microscopic mechanisms that are responsible for it are two critically important ro…
Effect of solute content and temperature on the deformation mechanisms and critical resolved shear stress in Mg-Al and Mg-Zn alloys
J-Y. Wang, N. Li, R. Alizadeh +4
The influence of solute atoms (Al and Zn) on the deformation mechanisms and the critical resolved shear stress for basal slip in Mg alloys at 298 K and 373 K was ascertained by mic…
An analysis of (the lack of) slip transfer between near-cube oriented grains in pure Al
T. R Bieler, R. Alizadeh, M. Peña-Ortega +1
Slip transfer across grain boundaries was studied in annealed polycrystalline Al foils deformed in uniaxial tension by means of the analysis of the slip traces on the specimen surf…
Precipitation during high temperature aging of Al-Cu alloys: a multiscale analysis based on first principles calculations
H. Liu, I. Papadimitriou, F. X. Lin +1
Precipitation during high temperature aging of Al-Cu alloys is analyzed by means of the integration of classical nucleation theory and phase-field simulations into a multiscale mod…