Carbon particle phase stability as a function of size

Journal of Computer-Aided Materials Design

Volumn 5, Issue 2-3, 1998, Pages 279-294

  Winter, Nicolas W ^a   Ree, Francis H ^a  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

Density functional; Diamond; Graphite; Hartree Fock; Phase stability; Semiempirical

Indexed keywords

CHEMICAL BONDS; DETONATION; DIAMONDS; GRAPHITE; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PHASE EQUILIBRIA; APPROXIMATION THEORY; EXPLOSIVES; EXTRAPOLATION; OPTIMIZATION; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY; FIRST PRINCIPLES THEORY; HARTREE-FOCK METHOD; PHASE STABILITY; COHESIVE ENERGIES; HARTREE-FOCK CALCULATIONS; SEMIEMPIRICAL;

EXPLOSIVES; PARTICLES (PARTICULATE MATTER);

EID: 0032267931     PISSN: 09281045     EISSN: None     Source Type: Journal    
DOI: 10.1023/a:1008674712837     Document Type: Article

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