Molecular simulation and continuum mechanics investigation of viscoelastic properties of fluids confined to molecularly thin films

Rajesh Khare, Juan De Pablo, Arun Yethiraj

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

Abstract

The viscoelastic properties of materials confined to molecularly thin films were investigated by molecular simulations of oscillatory shear flow and continuum mechanics. The simple liquid's atoms were found to interact through a repulsive Lennard-Jones potential. A linear viscoelastic behavior was exhibited by the simple and polymeric fluids under typical simulation conditions. A smooth transition from liquidlike to solidlike behavior was displayed by simple fluids when confined to molecularly thin films. Linear chain polymers and gels displayed elastic shear response at all frequencies investigated.

Original languageEnglish
Pages (from-to)7593-7601
Number of pages9
JournalJournal of Chemical Physics
Volume114
Issue number17
DOIs
StatePublished - May 1 2001

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