Molecular dynamics simulations of sodium silicate glasses: Optimization and limits of the computational procedure

Computational Materials Science

Volumn 47, Issue 3, 2010, Pages 739-751

  Pota, M ^a   Pedone, A ^a   Malavasi, G ^a   Durante, C ^a   Cocchi, M ^a   Menziani, M C ^a  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

Alkali silica glasses; Design of experiments; Molecular dynamics simulations

Indexed keywords

ALKALI OXIDE; ALKALI SILICA GLASSES; COMPUTATIONAL PROCEDURES; COOLING CYCLE; EXPERIMENTAL DATA; EXPERIMENTAL DESIGN; FORCE FIELDS; MD SIMULATION; MEDIUM-RANGE STRUCTURE; MOLECULAR DYNAMICS SIMULATIONS; OPTIMIZATION PROCEDURES; RADIAL DISTRIBUTION FUNCTIONS; SHORT-RANGE STRUCTURE; SILICA GLASS; SIMULATION PROCEDURES; SODIUM SILICATE; SPECIFIC BONDS; STRUCTURAL ELEMENTS;

DESIGN OF EXPERIMENTS; DISTRIBUTION FUNCTIONS; DYNAMICS; GLASS; MOLECULAR DYNAMICS; OPTIMIZATION; OXIDES; SILICA; SILICATES; SODIUM;

FUSED SILICA;

EID: 72149120558     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.10.017     Document Type: Article

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