Molecular Dynamics Study on Shear Property of Single-Crystal Bi2Te3
| Autor: | Lisheng Liu, Peng Cheng Zhai, Ben Huang |
|---|---|
| Rok vydání: | 2014 |
| Předmět: |
Materials science
business.industry Mechanical Engineering Structural engineering Mechanics Slip (materials science) Condensed Matter Physics Simple shear Shear modulus Shear rate Shear (geology) Mechanics of Materials Critical resolved shear stress Shear stress General Materials Science business Slip line field |
| Zdroj: | Materials Science Forum. 787:198-204 |
| ISSN: | 1662-9752 |
| DOI: | 10.4028/www.scientific.net/msf.787.198 |
| Popis: | The shear property of the thermoelectric material Bi2Te3is inextricably linked with its layer structure. By the molecular dynamics method, the mechanism of shearing deformation was studied in this paper. In the simulation, cubic single-crystal simulation cells with different layer directions inside were adopted, ensuring that thecaxis of crystal lattice can be along, across and 45odeviated from the shear stress. Compared with all the calculation models, the results show that when the shear stress increases, slip occurs along the Te1-Te1 adjacent layers which are connected by the weak van der Waals bonding, and ultimately leads to structural fracture. Furthermore, size effect and loading modes can also impact the behavior of shearing deformation, however, in very different ways. Future efforts should be focused on the influence of the creation and motion of defects during the deformation as well as temperature effect and strain rate effect. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|