An atomistic-continuum hybrid scheme for numerical simulation of droplet spreading on a solid surface

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6 Citations (Scopus)

Abstract

We present an atomistic-continuum hybrid method to investigate spreading dynamics of drops on solid surfaces. The Navier-Stokes equations are solved by the finite-volume method in a continuum domain comprised of the main body of the drop, and atomistic molecular dynamics simulations are used in a particle domain in the vicinity of the contact line. The spatial coupling between the continuum and particle domains is achieved through constrained dynamics of flux continuities in an overlap domain.

Original languageEnglish (US)
Pages (from-to)351-361
Number of pages11
JournalHeat and Mass Transfer/Waerme- und Stoffuebertragung
Volume50
Issue number3
DOIs
StatePublished - Mar 1 2014

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solid surfaces
continuums
Computer simulation
Finite volume method
Navier Stokes equations
Molecular dynamics
simulation
Fluxes
finite volume method
continuity
Navier-Stokes equation
molecular dynamics

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Fluid Flow and Transfer Processes

Cite this

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abstract = "We present an atomistic-continuum hybrid method to investigate spreading dynamics of drops on solid surfaces. The Navier-Stokes equations are solved by the finite-volume method in a continuum domain comprised of the main body of the drop, and atomistic molecular dynamics simulations are used in a particle domain in the vicinity of the contact line. The spatial coupling between the continuum and particle domains is achieved through constrained dynamics of flux continuities in an overlap domain.",
author = "Wu, {H. F.} and Fichthorn, {K. A.} and A. Borhan",
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