Thermally induced L1(0) martensitic transformation in an ordered B-2 Ni62.5Al37.5 alloy has been studied by using molecular dynamics computer simulations and embedded atom method (EAM) potential. The nucleation mechanism and growth process of martensites were investigated by analyzing the difference between the lattice vibrational properties, strain distributions in transforming and non-transforming regions. The effect of the difference between vibrational properties of Ni and Al atoms on the transformation was discussed.
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