Effective radii of noble gas atoms in silicates from frst-principles molecular simulation

American Mineralogist

Volumn 94, Issue 4, 2009, Pages 600-608

  Zhang, Liqun ^a   Van Orman, James A ^a   Lacks, Daniel J ^a  

^a CASE WESTERN RESERVE UNIVERSITY   (United States)

Author keywords

Density functional theory; Ionic radius; Molecular dynamics simulation; Silicate melt

Indexed keywords

ATOMS; CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; SILICA; SILICATES; VOLUME MEASUREMENT;

EMPIRICAL FORCE FIELDS; GEOLOGICAL INFORMATION; INTER-ATOMIC DISTANCES; IONIC RADIUS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; SILICATE MELTS; STRUCTURAL ENVIRONMENT;

INERT GASES;

COMPRESSION; CRYSTAL STRUCTURE; GEOCHEMISTRY; MANTLE; MOLECULAR ANALYSIS; NOBLE GAS; POROSITY; SILICA; SILICATE; SIMULATION;

EID: 67650327838     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am.2009.3086     Document Type: Article

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