Direct calculation of the solid-liquid Gibbs free energy difference in a single equilibrium simulation

Journal of Chemical Physics

Volumn 139, Issue 10, 2013, Pages

  Pedersen, Ulf R ^a,b  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

^b Faculty of Mathematics   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

COEXISTENCE REGION; DIRECT CALCULATION; EQUILIBRIUM SIMULATIONS; FREE-ENERGY DIFFERENCE; HARMONIC FIELD; HIGH PRESSURE; INTERFACE PINNING; LENNARD-JONES MODEL;

GIBBS FREE ENERGY; NEWTON-RAPHSON METHOD; PHASE INTERFACES;

FREE ENERGY;

EID: 84903362807     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4818747     Document Type: Article

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