A modified Tersoff potential for pure and hydrogenated diamond-like carbon

Computational Materials Science

Volumn 67, Issue , 2013, Pages 146-150

  Sha, Z D ^a   Branicio, P S ^a   Pei, Q X ^a   Sorkin, V ^a   Zhang, Y W ^a  

^a INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

Author keywords

Diamond like carbon; Hydrogenated diamond like carbon; Tersoff potential

Indexed keywords

ATOMISTIC SIMULATIONS; BOND ORDERS; DIAMOND-LIKE CARBON; INTERATOMIC POTENTIAL; LARGE SCALE SIMULATIONS; PAIR CORRELATION FUNCTIONS; REACTIVE EMPIRICAL BOND ORDERS; TERSOFF POTENTIAL; YOUNG'S MODULUS;

DIAMONDS; HYDROCARBONS; HYDROGENATION; MECHANICAL PROPERTIES;

AMORPHOUS CARBON;

EID: 84867093422     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2012.08.042     Document Type: Article

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