First-principles studies on alloying and simplified thermodynamic aqueous chemical stability of calcium-, zinc-, aluminum-, yttrium- and iron-doped magnesium alloys

Acta Biomaterialia

Volumn 6, Issue 5, 2010, Pages 1698-1704

  Velikokhatnyi, Oleg I ^a   Kumta, Prashant N ^a  

^a University of Pittsburgh   (United States)

Author keywords

Biodegradable Mg alloys; Density functional theory; Electronic structure; Enthalpy of formation; Heat of reactions

Indexed keywords

ALLOYING; ALLOYING ELEMENTS; ALUMINUM; CALCIUM; CALCIUM ALLOYS; CALCULATIONS; CHEMICAL STABILITY; CRYSTAL LATTICES; ELECTRONIC STRUCTURE; LATTICE THEORY; MAGNESIUM ALLOYS; THERMODYNAMICS; YTTRIUM; ZINC;

BIODEGRADABLE MG ALLOY; CALCIUM-ZINC; DENSITY-FUNCTIONAL-THEORY; ELECTRONIC.STRUCTURE; ENTHALPIES OF FORMATION; FIRST-PRINCIPLE STUDY; HEATS OF REACTION; MG ALLOY; ZINC ALUMINIUMS; ZINC-ALUMINUM;

DENSITY FUNCTIONAL THEORY;

ALLOY; ALUMINUM; CALCIUM; IRON; MAGNESIUM; WATER; YTTRIUM; ZINC; HYDROXIDE; METAL;

AB INITIO CALCULATION; AQUEOUS SOLUTION; ARTICLE; BIODEGRADABLE IMPLANT; CHEMICAL REACTION; CONTROLLED STUDY; CORROSION; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENTHALPY; HEAT; HYDROLYSIS; KINETICS; MOLECULAR STABILITY; PHASE TRANSITION; PRIORITY JOURNAL; SIMULATION; SOLUBILITY; THERMODYNAMICS; CHEMISTRY; ELECTRON; SOLUTION AND SOLUBILITY;

ALLOYS; CALCIUM; ELECTRONS; HYDROLYSIS; HYDROXIDES; IRON; MAGNESIUM; METALS; SOLUTIONS; THERMODYNAMICS; YTTRIUM; ZINC;

EID: 77954679087     PISSN: 17427061     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actbio.2009.08.016     Document Type: Article

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