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Technical Brief

Hybrid Atomistic-Continuum Simulation of Nanostructure Defect-Induced Bubble Growth

[+] Author and Article Information
Yijin Mao, Bo Zhang, Chung-Lung Chen

Department of Mechanical and Aerospace Engineering,
University of Missouri,
Columbia, MO 65211

Yuwen Zhang

Fellow ASME
Department of Mechanical and Aerospace Engineering,
University of Missouri,
Columbia, MO 65211
e-mail: zhangyu@missouri.edu

1Corresponding author.

Contributed by the Heat Transfer Division of ASME for publication in the JOURNAL OF HEAT TRANSFER. Manuscript received September 23, 2016; final manuscript received May 1, 2017; published online May 23, 2017. Assoc. Editor: Alan McGaughey.

J. Heat Transfer 139(10), 104503 (May 23, 2017) (5 pages) Paper No: HT-16-1599; doi: 10.1115/1.4036692 History: Received September 23, 2016; Revised May 01, 2017

Effects of nanostructured defects of a copper solid surface on bubble growth in liquid argon have been investigated through a hybrid atomistic-continuum (HAC) method. The same solid surfaces with five different nanostructures, namely, wedge defect, deep rectangular defect (R-I), shallow rectangular defect (R-II), small rectangular defect (R-III), and no defect were modeled at the molecular level. Liquid argon was placed on top of hot solid copper with a superheat of 30 K after equilibration was achieved with computational fluid dynamics–molecular dynamic (CFD–MD) coupled simulation. Phase change of argon on five nanostructures has been observed and analyzed accordingly. The results showed that the solid surface with wedge defect tends to induce a nanobubble more easily than the others, and the larger the size of the defect, the easier it is for the bubble to generate.

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Figures

Grahic Jump Location
Fig. 1

Scheme of state coupling for multiphase fluid flow

Grahic Jump Location
Fig. 2

Velocity, temperature, and density profiles at the sampled cell along with the user specified sinusoidal function

Grahic Jump Location
Fig. 3

Copper surface with wedge-shaped defect and bubble nucleation

Grahic Jump Location
Fig. 4

Copper surface with deeper rectangular defect and bubble nucleation

Grahic Jump Location
Fig. 5

Copper surface with shallow rectangular defect and bubble nucleation

Grahic Jump Location
Fig. 6

Copper surface with small rectangular defect

Grahic Jump Location
Fig. 7

Density fluctuation at the liquid–solid interface for R-III: (a) 0.625 ns, (b) 1.25 ns, (c) 1.875 ns, (d) 2.5 ns, (e) 3.125 ns, and (f) 3.75 ns

Grahic Jump Location
Fig. 8

Copper surface with no defect

Grahic Jump Location
Fig. 9

Density fluctuation at the smooth liquid–solid interface: (a) 0.625 ns, (b) 1.25 ns, (c) 1.875 ns, (d) 2.5 ns, (e) 3.125 ns, and (f) 3.75 ns

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