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

H. F. Wu; K. A. Fichthorn; A. Borhan

doi:10.1007/s00231-013-1270-4

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

H. F. Wu, K. A. Fichthorn, A. Borhan

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

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 language	English (US)
Pages (from-to)	351-361
Number of pages	11
Journal	Heat and Mass Transfer/Waerme- und Stoffuebertragung
Volume	50
Issue number	3
DOIs	https://doi.org/10.1007/s00231-013-1270-4
State	Published - Mar 1 2014

All Science Journal Classification (ASJC) codes

Condensed Matter Physics
Fluid Flow and Transfer Processes

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10.1007/s00231-013-1270-4

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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.",

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AU - Borhan, A.

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AB - 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.

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

Abstract

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