Abstract
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 language | English |
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Pages (from-to) | 213-219 |
Number of pages | 7 |
Journal | Physica E: Low-Dimensional Systems and Nanostructures |
Volume | 87 |
DOIs | |
Publication status | Published - 2017 Mar 1 |
Keywords
- 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