Journal
MATERIALIA
Volume 2, Issue -, Pages 148-156Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.mtla.2018.07.011
Keywords
Amorphous AlN; Ductility; Crystallization; Self-repairing mechanism; MD simulations
Categories
Funding
- ARC [150101717, 180102003]
- National Natural Science Foundation of China [11332013]
- Chongqing Graduate Student Research Innovation Project [CYB17019]
- China Scholarships Council [201606050043]
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Ultrahard ceramics have high mechanical strength, but their brittle nature often restricts their practical applications. Using molecular dynamics (MD) simulations, we investigated the mechanical properties of crystalline and amorphous aluminium nitride (a-AlN) under different loading modes. Decreased strength but improved ductility are observed in a-AlN as compared to its crystalline counterpart. We notice the failure mechanisms are very different in crystalline and amorphous AlN. At atomic scale, a self-repairing mechanism is observed, caused by repeated bond break and recovery among under-coordinated atoms in the a-AlN. Crystallization is also observed in the a-AlN during loading, contributing to the tension-compression asymmetry. It is interesting to note that the yield in a-AlN can be well described using Drucker-Prager type criterion.
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