79 citations · 196 across the 8 of their papers we have counts for
8 papers
Insights into hydrogen-induced vacancy stability and creep in chemically complex alloys
Prashant Singh, Yash Pachaury, Aaron Anthony Kohnert +2
Hydrogen (H) content modifies the creep response of Fe-based alloys by altering thermodynamics of point-defects; here we identify the electronic-structure mechanism underlying this…
Effect of Anisotropic Peierls Barrier on the Evolution of Discrete Dislocation Networks in Ni
John D. Shimanek, Darshan Bamney, Laurent Capolungo +2
Over low and intermediate strain rates, plasticity in face centered cubic (FCC) metals is governed by the glide of dislocations, which manifest as complex networks that evolve with…
Effect of a Micro-scale Dislocation Pileup on the Atomic-Scale Multi-variant Phase Transformation and Twinning
Yipeng Peng, Rigelesaiyin Ji, Thanh Phan +3
In this paper, we perform concurrent atomistic-continuum (CAC) simulations to (i) characterize the internal stress induced by the microscale dislocation pileup at an atomically str…
Grain Boundary Effects in Dealloying Metals: A Multi-Phase Field Study
Nathan Bieberdorf, Mark D. Asta, Laurent Capolungo
A multi-phase field model is employed to study the microstructural evolution of an alloy undergoing liquid dealloying. The model proposed extends upon the original approach of Gesl…
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…
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…
On the importance of prismatic/basal interfaces in the growth of (-1012) twins in hexagonal close-packed crystals
Ben Xu, Laurent Capolungo, David Rodney
The growth process of of (-1012) twins is studied in Magnesium using atomistic simulations. Two twin seeds are considered and both cases, a specific interface, which places face-to…