43 citations · 93 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2017★ 43 cited
Solubility in Zr-Nb alloys from first-principles
Emmanuel Clouet, Maeva Cottura
The thermodynamic properties of the Zr-Nb alloy are investigated at temperatures below 890 K with ab initio calculations. The solution energies of the bcc Nb-rich and hcp Zr-rich s…
cond-mat.mtrl-sci2017★ 40 cited
Atomic-scale modeling of twinning disconnections in zirconium
Olivier Mackain, Maeva Cottura, David Rodney +1
Twin growth in hexagonal close-packed zirconium is investigated at the atomic scale by modeling the various disconnections that can exist on twin boundaries. Thanks to a coupling w…
cond-mat.mtrl-sci2016★ 10 cited
Fracture initiation in multi-phase materials: a systematic three-dimensional approach using a FFT-based solver
T. W. J. de Geus, M. Cottura, B. Appolaire +2
This paper studies a two-phase material with a microstructure composed of a hard brittle reinforcement phase embedded in a soft ductile matrix. It addresses the full three-dimensio…