Non-equilibrium molecular dynamics simulation of nanojet injection with adaptive-spatial decomposition parallel algorithm

Hyun Ho Shin, Woong Sup Yoon

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

An Adaptive-Spatial Decomposition parallel algorithm was developed to increase computation efficiency for molecular dynamics simulations of nano-fluids. Injection of a liquid argon jet with a scale of 17.6 molecular diameters was investigated. A solid annular platinum injector was also solved simultaneously with the liquid injectant by adopting a solid modeling technique which incorporates phantom atoms. The viscous heat was naturally discharged through the solids so the liquid boiling problem was avoided with no separate use of temperature controlling methods. Parametric investigations of injection speed, wall temperature, and injector length were made. A sudden pressure drop at the orifice exit causes flash boiling of the liquid departing the nozzle exit with strong evaporation on the surface of the liquids, while rendering a slender jet. The elevation of the injection speed and the wall temperature causes an activation of the surface evaporation concurrent with reduction in the jet breakup length and the drop size.

Original languageEnglish
Pages (from-to)3661-3673
Number of pages13
JournalJournal of Nanoscience and Nanotechnology
Volume8
Issue number7
DOIs
Publication statusPublished - 2008 Jul 1

Fingerprint

Molecular Dynamics Simulation
Parallel algorithms
Molecular dynamics
injection
molecular dynamics
Decomposition
decomposition
Injections
Temperature
Computer simulation
Liquids
liquids
Boiling liquids
wall temperature
Evaporation
injectors
simulation
Argon
boiling
Platinum

All Science Journal Classification (ASJC) codes

  • Bioengineering
  • Chemistry(all)
  • Biomedical Engineering
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

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abstract = "An Adaptive-Spatial Decomposition parallel algorithm was developed to increase computation efficiency for molecular dynamics simulations of nano-fluids. Injection of a liquid argon jet with a scale of 17.6 molecular diameters was investigated. A solid annular platinum injector was also solved simultaneously with the liquid injectant by adopting a solid modeling technique which incorporates phantom atoms. The viscous heat was naturally discharged through the solids so the liquid boiling problem was avoided with no separate use of temperature controlling methods. Parametric investigations of injection speed, wall temperature, and injector length were made. A sudden pressure drop at the orifice exit causes flash boiling of the liquid departing the nozzle exit with strong evaporation on the surface of the liquids, while rendering a slender jet. The elevation of the injection speed and the wall temperature causes an activation of the surface evaporation concurrent with reduction in the jet breakup length and the drop size.",
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Non-equilibrium molecular dynamics simulation of nanojet injection with adaptive-spatial decomposition parallel algorithm. / Shin, Hyun Ho; Yoon, Woong Sup.

In: Journal of Nanoscience and Nanotechnology, Vol. 8, No. 7, 01.07.2008, p. 3661-3673.

Research output: Contribution to journalArticle

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