Crystal orientation-dependent tensile mechanical behavior and deformation mechanisms of zinc-blende ZnSe nanowires.

ABSTRACT: Crystal deformation mechanisms and mechanical behaviors in semiconductor nanowires (NWs), in particular ZnSe NWs, exhibit a strong orientation dependence. However, very little is known about tensile deformation mechanisms for different crystal orientations. Here, the dependence of crystal orientations on mechanical properties and deformation mechanisms of zinc-blende ZnSe NWs are explored using molecular dynamics simulations. We find that the fracture strength of [111]-oriented ZnSe NWs shows a higher value than that of [110] and [100]-oriented ZnSe NWs. Square shape ZnSe NWs show greater value in terms of fracture strength and elastic modulus compared to a hexagonal shape at all considered diameters. With increasing temperature, the fracture stress and elastic modulus exhibit a sharp decr

SUBMITTER: Islam ASMJ 

PROVIDER: S-EPMC9981763 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature