Abstract
The coherent nanotwins have been observed in intergranular M6C carbides in GH3535 alloy. Unlike the simple face-centered cubic (FCC) crystals, M6C carbides with a complex FCC lattice possess a complex periodic stacking along the {1 1 1} planes, from which four different potential configurations of the coherent nanotwin interface have been derived. Based on the simplified Ni3Mo3C supercell, the twin boundary energies and the relaxed structure of the four configurations were calculated and compared with each other using first-principle calculation, which indicate that the twined structure with NiMo-2 layer as twinning interface is most energetically favorable and structurally perfect.
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