Molecular dynamics simulation of nanocrystal formation and deformation behavior of Ti3Al alloy
| Autor: | Tinghong Gao, Quan Xie, Xiao-Tian Guo, Zhuocheng Xie |
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| Rok vydání: | 2015 |
| Předmět: |
Materials science
General Computer Science Alloy Metallurgy General Physics and Astronomy General Chemistry engineering.material Nanocrystalline material Stress (mechanics) Computational Mathematics Nanocrystal Deformation mechanism Mechanics of Materials Ultimate tensile strength engineering General Materials Science Composite material Deformation (engineering) Crystal twinning |
| Zdroj: | Computational Materials Science. 98:245-251 |
| ISSN: | 0927-0256 |
| DOI: | 10.1016/j.commatsci.2014.10.012 |
| Popis: | A molecular dynamics simulation study has been carried out to investigate nanocrystal formation of liquid Ti3Al alloy during rapid solidification and deformation behavior of the nanocrystalline Ti3Al alloy under tensile loading. The deformation mechanism of the nanocrystalline Ti3Al alloy during the tensile deformation processes has been discovered through the investigations of microstructural evolutions. The results emerging from the present analyses indicate that liquid Ti3Al alloy fully crystallizes at cooling rate of 1011 K/s, and coherent twin boundaries are found in the nanocrystalline Ti3Al alloy during the rapid solidification. Moreover, as the crack source in the nanocrystalline Ti3Al alloy, the coherent twin boundary perpendicular to the stress direction induces and extends the crack during the plastic deformation process. These findings provide deeper insights into understanding the nanocrystal formation of liquid Ti3Al alloy and tensile deformation mechanism in the nanocrystalline Ti3Al alloy at nano-scale. |
| Databáze: | OpenAIRE |
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