Mechanical behavior of CuZr dual-phase nanocrystal-metallic glass composites

P Sun and CX Peng and Y Cheng and G Zhang and PF Wang and LJ Jia and L Wang, COMPUTATIONAL MATERIALS SCIENCE, 163, 290-300 (2019).

DOI: 10.1016/j.commatsci.2019.03.046

Molecular dynamics (MD) simulations are conducted to investigate the influence of various critical structural aspects such as crystallographic direction, spatial distribution and size/ volume fraction of nanoscale crystalline secondary phase on the mechanical behavior of dual-phase nanocrystal-metallic glass composites (NCMGCs). The results of MD simulations show that the 'softer' amorphous matrix and amorphous-crystal interfaces serve as the nucleation sites of the shear transformation zones, and eventually developing into mature shear bands (SBs). We find that the different crystallographic directions of the nanocrystals have great influence on elastic modulus of composites. Moreover, the spatial distribution of nanocrystals plays an important role in SBs propagation direction. In particular, by increasing the volume fraction of the crystalline phase, plastic co-deformation of the SBs and stacking faults is achieved for the NCMGCs with nanocrystals of 1 1 0 and 1 1 1 directions. Moreover, the presence of stacking faults releases most of the stress of nanocrystals and retards the formation of a mature SB. By systematically varying the characteristics of the B2 CuZr nanoscale crystalline phase one can design composites with improved mechanical properties.

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