O interstitial energetics in Ti from ab initio calculations

Computational Materials Science

Volumn 32, Issue 1, 2005, Pages 13-19

  Lado Tourino I ^a,b   Tsobnang, F ^b  

^a UNIVERSIDAD EUROPEA DE MADRID   (Spain)

^b Inst Sup des Mat du Mans   (France)

Author keywords

Ab initio; Computational modeling; Density functional theory; Dental materials; Porcelain

Indexed keywords

CORROSION RESISTANCE; CRYSTALLINE MATERIALS; DENTAL MATERIALS; DIFFUSION; FAILURE ANALYSIS; PORCELAIN; PROBABILITY DENSITY FUNCTION; SILICON; STOICHIOMETRY;

AB INITIO; COMPUTATIONAL MODELING; CORRELATION ENERGY; MOLECULAR MODELING;

TITANIUM OXIDES;

EID: 9644283134     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2004.05.005     Document Type: Article

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