Mechanism of densification in silica glass under pressure as revealed by a bottom-up pairwise effective interaction model

Journal of Chemical Physics

Volumn 136, Issue 13, 2012, Pages

  Izvekov, Sergei ^a   Rice, Betsy M ^a  

^a U S ARMY RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; AMORPHOUS SILICA; BORN-OPPENHEIMER; COLD COMPRESSION; CRYSTALLINE POLYMORPHS; EFFECTIVE INTERACTIONS; EFFECTIVE POTENTIALS; ELEVATED PRESSURE; ENERGY FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; MD SIMULATION; OXYGEN COMPLEXES; OXYGEN IONS; PIECEWISE FUNCTIONS; SHOCK COMPRESSIONS; SHOCK HUGONIOT; SHOCKED STATE; SHORT SEPARATIONS; SYSTEM STRUCTURES;

COORDINATION REACTIONS; DENSIFICATION; MOLECULAR DYNAMICS; OXYGEN;

SILICA;

EID: 84861685419     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3696865     Document Type: Article

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