Dynamics of a Spreading Nanodroplet: A Molecular Dynamic Simulation | Zendy

Yaneva Jacqueline | Zendy; Milchev Andrey | Zendy; Binder Kurt | Zendy

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Dynamics of a Spreading Nanodroplet: A Molecular Dynamic Simulation

Author(s) -

Yaneva Jacqueline,

Milchev Andrey,

Binder Kurt

Publication year - 2003

Publication title -

macromolecular theory and simulations

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.37

H-Index - 56

eISSN - 1521-3919

pISSN - 1022-1344

DOI - 10.1002/mats.200350021

Subject(s) - mean squared displacement , molecular dynamics , polymer , radius of gyration , wetting , radius , displacement (psychology) , mean square , square (algebra) , range (aeronautics) , materials science , dynamics (music) , physics , chemistry , geometry , computational chemistry , composite material , mathematics , statistics , psychology , computer science , acoustics , psychotherapist , computer security

The spreading of polymer nanodroplets upon a sudden change from partial to complete wetting on an ideally flat and structureless solid substrate has been studied by molecular dynamic simulations using a coarse‐grained bead‐spring model of flexible macromolecules. Tanner's law for the growth of the lateral droplet radius { R ( t ) ∝ t 0.1 } is found to hold as long as the droplet does not disintegrate into individually moving chains. The data for the contact angle θ following from Tanner's law correspond to a dependence on time { θ ( t ) ∝ t −0.3 }. Our analysis of the mean square displacements of the polymer centers of mass reveals several dynamic regimes during the process of spreading. PACS numbers: 68.10.Gw, 05.70.Ln, 61.20.Ja, 8.45.Gd.Molecular dynamics results for the average mean square displacement of all polymer chains plotted vs. time for a broad range of values for ε wall .

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