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The energies of [1¯ 1 0] STGB have been calculated with MAEAM for a series of 44GBs in FCC metal Ag. They are unrealistically high for the two crystals rigid joined together, this is caused by the atoms near GB plane are very close so that they will repel each other and result in a GB expansion and energy decreasing. The minimum energy after expansion Emin depends on rotation angle θ, four lowest...
With modified analytical embedded atom method (MAEAM), the energy of (011) twist grain boundary (GB) has been calculated for three noble metals Cu, Ag and Au. The results show that the unrelaxed energy keeps almost constant with twist angle θ except several cusps at low Σ boundaries. The GB energies drop significantly after expansion perpendicular to the boundary. In-boundary translation results in...
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