Interfacial excess free energies of solid-liquid interfaces by molecular dynamics simulation and thermodynamic integration

Macromolecular Rapid Communications

Volumn 30, Issue 9-10, 2009, Pages 864-870

  Leroy, Frédéric ^a   Dos Santos, Daniel J V A ^a,b   Müller Plathe, Florian ^a  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^b RESEARCH INSTITUTE FOR MEDICINES IMED ULISBOA   (Portugal)

Author keywords

Adhesion; Interfaces; Molecular dynamics; Thermodynamics; Thin films

Indexed keywords

ADHESION; FREE ENERGY; GIBBS FREE ENERGY; INTERFACES (MATERIALS); LIQUIDS; MOLECULAR DYNAMICS; THERMODYNAMICS; THIN FILMS;

EXCESS FREE ENERGY; FLAT SURFACES; LENNARD-JONES PARTICLES; MODEL SYSTEM; MOLECULAR DYNAMICS SIMULATIONS; SOLID SURFACE; SOLID-LIQUID INTERFACES; THERMODYNAMIC INTEGRATION;

PHASE INTERFACES;

EID: 66249118007     PISSN: 10221336     EISSN: 15213927     Source Type: Journal    
DOI: 10.1002/marc.200800746     Document Type: Article

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