239 citations · 350 across the 10 of their papers we have counts for
10 papers
Solute Co-Segregation Mechanisms at Low-Angle Grain Boundaries in Magnesium: A Combined Atomic-Scale Experimental and Modeling Study
Risheng Pei, Joé Petrazoller, Achraf Atila +10
Solute segregation at low-angle grain boundaries (LAGBs) critically affects the microstructure and mechanical properties of magnesium (Mg) alloys. In modern alloys containing multi…
On the temperature and chemical dependency of prismatic stacking faults in C14 Laves phases
Zhuocheng Xie, Dimitri Chauraud, Erik Bitzek +2
Activation of non-basal slip is essential in improving the deformability of hexagonal crystals. However, the mechanism of non-basal slip remains largely unknown, especially for com…
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…
Thermally activated nature of synchro-Shockley dislocations in Laves phases
Zhuocheng Xie, Dimitri Chauraud, Achraf Atila +3
Synchro-Shockley dislocations, as zonal dislocation, are the major carrier of plasticity in Laves phases at high temperatures. The motion of synchro-Shockley dislocations is compos…
Plasticity of the Nb-rich μ-Co7Nb6 phase at room temperature and 600 °C
W. Luo, Z. Xie, P. -L. Sun +2
The μ-phase is a common precipitation phase in superalloys and it exists in a wide composition and temperature range. As such, we study the influences of composition and temperatur…
Unveiling the mechanisms of motion of synchro-Shockley dislocations in Laves phases
Zhuocheng Xie, Dimitri Chauraud, Achraf Atila +3
In Laves phases, synchroshear is the dominant basal slip mechanism. It is accomplished by the glide of synchro-Shockley dislocations. However, the atomic-scale mechanisms of motion…
Atomistic insights into the inhomogeneous nature of solute segregation to grain boundaries in magnesium
Risheng Pei, Zhuocheng Xie, Sangbong Yi +3
In magnesium alloys with multiple substitutional elements, solute segregation at grain boundaries (GBs) has a strong impact on many important material characteristics, such as GB e…
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…
Exploring the transfer of plasticity across Laves phase interfaces in a dual phase magnesium alloy
Julien Guénolé, Muhammad Zubair, Swagata Roy +4
The mechanical behaviour of Mg-Al alloys can be largely improved by the formation of an intermetallic Laves phase skeleton, in particular the creep strength. Recent nanomechanical…
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…