Effects of Vacancy on Mechanical Properties of Single-Crystal -TiAl based on Molecular Dynamics Simulation

DOI

10.2991/icmse-16.2016.30How to use a DOI?

Keywords

-TiAl alloy, Molecular dynamics, Vacancy, Crack, Mechanical properties

Abstract

To investigate the effect of vacancy concentrations on mechanical properties of single crystal -TiAl, the uniaxial tension tests of -TiAl alloy models at different vacancy based on molecular dynamics simulation was performed. The results shows that obvious brittle behavior in stress-strain curve and ultimate stress decreases nonlinearly with increasing vacancy concentrations can be got. When the atom near vacancy is changed, potential energy reaches to maximum, and decreases with the increasing of vacancy concentrations. In the process of tension tests, vacancy gradually is evolved to the hole, and then the hole is evolved to micro cracks. Finally the micro crack extended until the material fractures. The form of crack propagation is different at different vacancy concentrations.

Copyright

© 2016, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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TY  - CONF
AU  - Hai-Yan Li
AU  - Rui-Cheng Feng
AU  - Hui Cao
PY  - 2016/12
DA  - 2016/12
TI  - Effects of Vacancy on Mechanical Properties of Single-Crystal -TiAl based on Molecular Dynamics Simulation
BT  - Proceedings of the 4th 2016 International Conference on Material Science and Engineering (ICMSE 2016)
PB  - Atlantis Press
SP  - 175
EP  - 181
SN  - 2352-5401
UR  - https://doi.org/10.2991/icmse-16.2016.30
DO  - 10.2991/icmse-16.2016.30
ID  - Li2016/12
ER  -