Surface Stoichiometry and Oxidation of NiTi

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Abstract:

NiTi shape memory alloy is considered to be the most important shape memory alloys for its salient superelasticity and shape memory effect,which are displayed in martensitic transformations.In this paper, first-principles plane-wave method is utilized to systemically investigate the geometrical and electronic structures of NiTi (100) surface.Calculated the adsorption of oxygen atoms on the Ti/ NITI different location .The formation energy, Millikan population analysis results show that the Oxygen atoms easy to be adsorbed on the surface of Ti end surface,formation of TiO2.

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387-390

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February 2013

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© 2013 Trans Tech Publications Ltd. All Rights Reserved

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