42 citations · 42 across the 1 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2021
Laves phase crystal analysis (LaCA): Atomistic identification of lattice defects in C14 and C15 topologically close-packed phases
Zhuocheng Xie, Dimitri Chauraud, Erik Bitzek +2
The identification of defects in crystal structures is crucial for the analysis of atomistic simulations. Many methods to characterize defects that are based on the classification…
physics.comp-ph2019
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…
cond-mat.mtrl-sci2019★ 42 cited
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…