120 citations · 188 across the 3 of their papers we have counts for
3 papers
A fast anharmonic free energy method with an application to vacancies in ZrC
Thomas A. Mellan, Andrew I. Duff, Blazej Grabowski +1
We propose an approach to calculate the anharmonic part of the volumetric-strain and temperature dependent free energy of a crystal. The method strikes an effective balance between…
Basal Slip in Laves Phases: the Synchroshear Dislocation
Julien Guénolé, Fatim-Zahra Mouhib, Liam Huber +2
Two different mechanisms have been reported in previous ab initio studies to describe basal slip in complex intermetallic Laves phases: synchroshear and undulating slip. To date, n…
Structural stability and thermodynamics of CrN magnetic phases from ab initio and experiment
Liangcai Zhou, David Holec, Matthias Bartosik +4
The dynamical and thermodynamic phase stabilities of the stoichiometric compound CrN including different structural and magnetic configurations are comprehensively investigated usi…