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Antiphase boundaries (APBs) play a crucial role in the anomalous yield behavior exhibited by Ni3Al with L12 structure. We investigated the changes in the vibrational properties associated with the formation of (001) and (111) APBs in Ni3Al by employing first-principles calculations. The phonon density of states of Ni3Al with and without (001) and (111) APBs revealed an interesting result: the (001)...
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