Classical and ab-initio molecular dynamic simulation of an amorphous silica surface

Computer Physics Communications

Volumn 147, Issue 1-2, 2002, Pages 222-225

  Mischler, C ^a   Kob, W ^b   Binder, K ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b UNIV MONTPELLIER   (France)

Author keywords

Ab initio simulations; Glass surface; Molecular dynamics simulations; Silica

Indexed keywords

AMORPHOUS MATERIALS; COMPUTER SIMULATION; CONTINUUM MECHANICS; CRYSTAL DEFECTS; SILICA; SURFACE STRUCTURE;

CAR-PARRINELLO METHOD (CPMD);

MOLECULAR DYNAMICS;

EID: 0036681553     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(02)00250-3     Document Type: Article

References (14)