239 citations · 304 across the 5 of their papers we have counts for
5 papers
Features of a nano-twist phase in the nanolayered Ti3AlC2 MAX phase
Julien Guénolé, Vincent Taupin, Maxime Vallet +2
Complex intermetallic materials known as MAX phases exhibit exceptional properties from both metals and ceramics, largely thanks to their nanolayered structure. With high-resolutio…
Tailoring the plasticity of topologically close-packed phases via the crystals' fundamental building blocks
Wei Luo, Zhuocheng Xie, Siyuan Zhang +10
Brittle topologically close-packed precipitates form in many advanced alloys. Due to their complex structures little is known about their plasticity. Here, we present a strategy to…
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…
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…