Density functional theory simulation of titanium migration and reaction with oxygen in the early stages of oxidation of equiatomic NiTi alloy

Biomaterials

Volumn 31, Issue 13, 2010, Pages 3439-3448

  Nolan, Michael ^a   Tofail, Syed A M ^b  

^a UNIVERSITY COLLEGE CORK   (Ireland)

^b UNIVERSITY OF LIMERICK   (Ireland)

Author keywords

biocompatibility; Density functional theory; NiTi; oxidation; TiO2

Indexed keywords

ALLOY SURFACES; ATOMIC OXYGEN; BIOMEDICAL DEVICES; DENSITY FUNCTIONAL THEORY SIMULATIONS; ENERGY GAIN; EXPERIMENTAL EVIDENCE; GUIDE-WIRE; INITIAL STAGES; INTERMETALLIC ALLOYS; MINIMALLY INVASIVE; NITI ALLOYS; NITI SHAPE MEMORY ALLOYS; OXIDE GROWTH; OXIDE LAYER; OXYGEN ADSORPTION; PASSIVE LAYER; SELF-EXPANDABLE; SUBSURFACE REGIONS; SURFACE LAYERS; THIN LAYERS; TI ATOMS; TIO; VASCULAR STENTS;

ALLOYS; ATOMS; BIOCOMPATIBILITY; CERIUM ALLOYS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GAS ADSORPTION; METALLIC COMPOUNDS; MONOLAYERS; OXIDATION; OXIDE FILMS; TITANIUM; TITANIUM ALLOYS;

MOLECULAR OXYGEN;

NICKEL; OXYGEN; TITANIUM;

ADSORPTION; ARTICLE; BIOCOMPATIBILITY; CHEMICAL STRUCTURE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DISSOCIATION; MOLECULAR INTERACTION; OXIDATION KINETICS; PRIORITY JOURNAL; SIMULATION;

ALLOYS; NICKEL; OXIDATION-REDUCTION; OXYGEN; TITANIUM;

EID: 77249132186     PISSN: 01429612     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.biomaterials.2010.01.060     Document Type: Article

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