Molecular-dynamics simulations of martensitic transitions
نویسندگان
چکیده
Structural phase transformations in the ferromagnetic FeNi alloys is discussed on the basis of first-principles and molecular-dynamics simulations. In the molecular-dynamics study effective potentials have been used which were derived by the Embedding Atom Method. The simulations reproduce fairly well the austenitic transformation upon heating, while for the martensitic transformation upon cooling a large amount of lattice defects is needed. Shape-memory effects of the FeNi alloys is also observed.
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