239 citations · 494 across the 15 of their papers we have counts for
3 papers · 1 filter
On the influence of Al-concentration on the fracture toughness of NiAl: microcantilever fracture tests and atomistic simulations
Ralf Webler, Polina N. Baranova, Shivraj Karewar +5
The mechanical properties of the stoichiometric B2 -phase of NiAl are well established, however the effect of off-stoichiometric composition on the fracture toughness has not ye…
Assessment and optimization of the fast inertial relaxation engine (FIRE) for energy minimization in atomistic simulations and its implementation in LAMMPS
Julien Guénolé, Wolfram G. Nöhring, Aviral Vaid +4
In atomistic simulations, pseudo-dynamics relaxation schemes often exhibit better performance and accuracy in finding local minima than line-search-based descent algorithms like st…
Atomistic Simulations of Basal Dislocations Interacting with MgAl Precipitates in Mg
Aviral Vaid, Julien Guénolé, Aruna Prakash +2
The mechanical properties of Mg-Al alloys are greatly influenced by the complex intermetallic phase MgAl, which is the most dominant precipitate found in this alloy s…