The melting lines of model silicon calculated from coexisting solid-liquid phases

Journal of Chemical Physics

Volumn 120, Issue 3, 2004, Pages 1654-1656

  Yoo, S ^a   Zeng, X C ^a   Morris, James R ^b  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

^b IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; FREE ENERGY; HIGH TEMPERATURE APPLICATIONS; MELTING; MOLECULAR PHYSICS; PHASE TRANSITIONS; SILICON;

LENNARD-JONES SYSTEM; MELTING LINE; NONEQUILIBRIUM MOLECULAR DYNAMICS; SOLID-LIQUID PHASES; STILLINGER-WEBER MODEL;

MOLECULAR DYNAMICS;

EID: 1142291774     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1633754     Document Type: Letter

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12. We also performed an MD simulation for the coexisting SW/(100)/liquid system without using the new procedure. In this particular test, the stress anisotropy amounts to 30%. The calculated melting temperature at zero pressure is about 25 K below 1678 K (see Table I).
13. m value within the error bar.