Buckling instability of zinc oxide nanobelts under uniaxial compression investigated using molecular dynamics

Computational Materials Science(2014)

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摘要
•Molecular dynamics to simulate the phase transformation and load curves of ZnO.•The WZ crystals break and the structure transforms into BCT-4 due to high pressure.•A nanobelt with high slenderness ratio is thus easier to deform during compressive.•The critical stress decreases 22.8–2.27GPa as slenderness ratio increases 1.91–61.
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关键词
Molecular dynamics,Phase transformation,Buckling stress,Compressive loading
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