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

Chao Feng, Xianghe Peng, Tao Fu, Yinbo Zhao, Cheng Huang, Zhongchang Wang

Research output: Contribution to journalArticlepeer-review

16 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)213-219
Number of pages7
JournalPhysica E: Low-Dimensional Systems and Nanostructures
Publication statusPublished - 2017 Mar 1
Externally publishedYes


  • 2NN MEAM
  • Nano-indentation
  • Nanotwins
  • Prismatic loop
  • Shear loop
  • Ti-V multilayer

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics


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