[HTML][HTML] Compression-induced phase transition of GaN bulk from wurtzite phase to five-fold coordination hexagonal phase
The phase transformation of GaN bulk from the Wurtzite phase (WZ) to the hexagonal phase
(HX) is studied by molecular dynamics simulation. The mechanical response and atomic
structural evolution of transition are analyzed in detail. In addition, the loading rate effect on
the phase transition is determined, that is, the phase transition ratio declines with a decrease
of the strain rate. The WZ GaN bulk completely transforms into the HX phase in the case of
compression at an ultrahigh strain rate. However, at a relatively slower strain rate, the HX …
(HX) is studied by molecular dynamics simulation. The mechanical response and atomic
structural evolution of transition are analyzed in detail. In addition, the loading rate effect on
the phase transition is determined, that is, the phase transition ratio declines with a decrease
of the strain rate. The WZ GaN bulk completely transforms into the HX phase in the case of
compression at an ultrahigh strain rate. However, at a relatively slower strain rate, the HX …
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