Molecular dynamics simulation of nano-indentation on Ti-V multilayered thin films

C Feng and XH Peng and T Fu and YB Zhao and C Huang and ZC Wang, PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 87, 213-219 (2017).

DOI: 10.1016/j.physe.2016.10.019

We developed a second nearest-neighbor modified embedded-atom method potential for binary Ti-V system. The potential parameters were identified by fitting the lattice parameter, cohesive energy and elastic constants of CsCl-type TiV, and further validated by reproducing the fundamental physical and mechanical properties of Ti-V systems with other crystal structures. In addition, we also performed molecular dynamics simulations of nano-indentation processes of pure Ti film, pure V film, and two kinds of four-layer Ti-V films, V-Ti-V-Ti and Ti-V-Ti-V. We found that the indentation force-depth curve for the pure V film turns flat at an indentation depth of 2.8 nm, where a prismatic loop was observed. Such prismatic loop is not found in the V/Ti/V/Ti multilayer because the thickness of each layer is insufficient for the formation of such prismatic loops, which accounts for the increase of stress in the multilayer.

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