**Glide Mobility of a-Type Edge Dislocations in Aluminum Nitride by
Molecular Dynamics Simulation**

YT Zhao and DY Fu and QK Wang and JL Huang and D Lei and ZM Ren and L Wu, ACS OMEGA (2021).

DOI: 10.1021/acsomega.1c05483

Classical molecular dynamics simulations are performed to investigate
the motion of a-type edge dislocations in wurtzite aluminum nitride
(AlN). The nucleation and propagation of kinks are observed via the
dislocation extraction algorithm. Our simulation results show that the
nucleation energy of the kink pair in AlN is 1.2 eV and that the
migration energy is 2.8 eV. The Peierls stress of the 1/3(11 (2) over
bar0)*10 (1) over bar0* edge dislocation at 0 K is 15.9 GPa. The viscous
motion of dislocations occurs when tau > tau(p), and the dislocation
velocity is inversely proportional to the temperature and directly
proportional to the applied stress. Below room temperature, the value of
the critical resolved shear stress (CRSS) on the prismatic plane is the
lowest, which suggests that the dislocation mobility on the prismatic
plane is the easiest. The CRSS on the pyramidal plane is always the
highest at all temperatures, which suggests that pyramidal slip is the
hardest among these three slip systems.

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