Generation of realistic amorphous Al2O3 And ZrO 3 samples by hybrid classical and first-principle molecular dynamics simulations

ECS Transactions

Volumn 16, Issue 10, 2009, Pages 773-785

  Chagarov, Evgueni A ^a   Kummel, Andrew C ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINA; ALUMINUM OXIDE; DENSITY FUNCTIONAL THEORY; GERMANIUM COMPOUNDS; MOLECULAR DYNAMICS; ZIRCONIA;

AMORPHOUS SAMPLES; FIRST-PRINCIPLE MOLECULAR DYNAMICS; GOOD CORRELATIONS;

SI-GE ALLOYS;

EID: 63149101962     PISSN: 19385862     EISSN: 19386737     Source Type: Conference Proceeding    
DOI: 10.1149/1.2986837     Document Type: Conference Paper

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