A first principles investigation on the mechanism of TiC act as heterogeneous nucleation substrate of Mg phase to refine grains in AZ91
The lattice misfit of small Miller indices crystal faces between Mg and TiC is calculated based on Bramfitt two-dimensional lattice misfit theory. The electronic structure, adhesion energy and interfacial energy of Mg(001)/TiC(111) interface are investigated by first-principle calculation. The bond...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2019-08-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.5109812 |