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JASEN Paula Veronica

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Título:

DFT study of Ni segregation on Niti- nol/oxide system

Autor/es:

JUANJ.; BECHTHOLD P.; BRIZUELA, G.; JUAN A.; GONZÁLEZ E.; JASEN P.

Reunión:

Simposio; SLAFES XXIII; 2018

Resumen:

The Nitinol (acronyms for NiTiNaval Ordnance La- boratory) is quasi equiatomic alloy of Ni-Ti known for itsproperties of shape memory, superplasticity, strength and biocompatibility. Itis the most widely used form memory alloy in the production of biomedicaldevices. However, the presence of Ni in metallic or oxidized form on itssurface or the release of it from the core of the alloy is a serious problembecause of its allergenic properties and toxicity to human tissue. The mostusual procedure is the modification of the surface by a coating that resistscorrosion and is bio- compatible. The simplest of the procedures consists of asurface oxidation that manages to grow an oxide film on the NiTi, the Ti beingoxidized preferentially. For this reason we performed a DFT study of Ni segregationfor different oxide coverage. Our results show that Ni diffusion is stronglydependent of the presence of Ti and o vacancies and the nature of an intermediaryoxidation layer. We also analyzed the changes in the electronic structure andbonding at the interface.

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