A charge optimized many-body (comb) potential for titanium and titania

Journal of Physics Condensed Matter

Volumn 26, Issue 31, 2014, Pages

  Cheng, Yu Ting ^a   Shan, Tzu Ray ^a,b   Liang, Tao ^a   Behera, Rakesh K ^a,c   Phillpot, Simon R ^a   Sinnott, Susan B ^a  

^a J Crayton Pruitt Family Department of Biomedical Engineering   (United States)

^b SANDIA NATIONAL LABORATORIES   (United States)

^c GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

charge optimized many body potential; titanium and titania

Indexed keywords

ADSORPTION; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS; OXIDATION; OXIDE MINERALS; TITANIUM;

ADSORPTION ENERGIES; EMPIRICAL POTENTIALS; MANY-BODY POTENTIALS; MOLECULAR DYNAMICS SIMULATIONS; POTENTIAL FUNCTION; RELATIVE STABILITIES; STRUCTURAL AND MECHANICAL PROPERTIES; TITANIA;

TITANIUM DIOXIDE;

EID: 84904462966     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/26/31/315007     Document Type: Article

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