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Volumn 93, Issue 12, 2008, Pages

Thermal bending of nanojets: Molecular dynamics simulations of an asymmetrically heated nozzle

Author keywords

[No Author keywords available]

Indexed keywords

HEATING; JET PUMPS; MOLECULAR DYNAMICS; NANOFLUIDICS; NOZZLES; PROPANE; QUANTUM CHEMISTRY;

EID: 52949089007     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2988282     Document Type: Article
Times cited : (21)

References (9)
  • 6
    • 52949146920 scopus 로고    scopus 로고
    • (unpublished); see also W. Kang, Ph.D. thesis, Georgia Institute of Technology, 2008.
    • W. Kang, U. Landman, and A. Glezer (unpublished); see also W. Kang, Ph.D. thesis, Georgia Institute of Technology, 2008.
    • Kang, W.1    Landman, U.2    Glezer, A.3
  • 7
    • 52949141626 scopus 로고    scopus 로고
    • The methodology of our MD simulations, where Newton's equations of motion for propane molecules interacting between themselves and with the atoms of a Pt nozzle are integrated on the computer (with an integration time steof 5× 10-15 s), is the same as that given in Refs.. In the reservoir, before the entrance to the heated nozzle, the temperature of the "stored" liquid propane is 150 K, which is well below the boiling point (230 K) of propane. The liquid is pushed from the reservoir by applying a constant back-pressure, and when it passes through the heated (wall temperature TW) cylindrical nozzle, it heats uand a temperature gradient is formed. For the choice of the heated nozzle length (L=30 nm in the present simulations), see Ref..
    • The methodology of our MD simulations, where Newton's equations of motion for propane molecules interacting between themselves and with the atoms of a Pt nozzle are integrated on the computer (with an integration time step of 5× 10-15 s), is the same as that given in Refs.. In the reservoir, before the entrance to the heated nozzle, the temperature of the "stored" liquid propane is 150 K, which is well below the boiling point (230 K) of propane. The liquid is pushed from the reservoir by applying a constant back-pressure, and when it passes through the heated (wall temperature TW) cylindrical nozzle, it heats up and a temperature gradient is formed. For the choice of the heated nozzle length (L=30 nm in the present simulations), see Ref..
  • 8
    • 52949094403 scopus 로고    scopus 로고
    • Steady state virtual NJ flow characteristics and stable operation of the deflection mode require sustained temperature gradients in the fluid inside the injector, particularly in the plane normal to the propagation direction (z). In the z direction, the Peclet number (expressing the relative effectiveness of convective and diffusive heat transport, Pe=VLκ, where V, L, and κ are the characteristic velocity, length, and thermal diffusivity, κ=100 nm2 ns for the propane liquid) is large, Pe≈200 (with L=30 nm and Vz =700 ms), reflecting the dominance of convection. However, in the perpendicular plane, the characteristic velocities are very small, corresponding to an exceedingly small Pe. The small transverse Peclet number, together with the small Reynolds number for our system (Re≈30, i.e., nonturbulent flow), supports the formation of stable gradients and results in the steady state temperature profiles observed in our simulations.
    • Steady state virtual NJ flow characteristics and stable operation of the deflection mode require sustained temperature gradients in the fluid inside the injector, particularly in the plane normal to the propagation direction (z). In the z direction, the Peclet number (expressing the relative effectiveness of convective and diffusive heat transport, Pe=VLκ, where V, L, and κ are the characteristic velocity, length, and thermal diffusivity, κ=100 nm2 ns for the propane liquid) is large, Pe≈200 (with L=30 nm and Vz =700 ms), reflecting the dominance of convection. However, in the perpendicular plane, the characteristic velocities are very small, corresponding to an exceedingly small Pe. The small transverse Peclet number, together with the small Reynolds number for our system (Re≈30, i.e., nonturbulent flow), supports the formation of stable gradients and results in the steady state temperature profiles observed in our simulations.
  • 9
    • 52949101132 scopus 로고    scopus 로고
    • The change in the total momentum flux (per unit length) caused by the nonuniform evaporation in the first 6 ps, the time it takes the exiting heated jet to traverse a 4 nm distance from the exit [i.e., region II in Fig., with an exit velocity of 700 ms], is about 70 amu ps2, and from the simulations we determine also that the mass per unit length (nm) enclosed by a cylindrical surface of about 6-7 nm diameter is ≈2× 104 amunm, yielding an acceleration of about 4.0× 103 nm ns2. The corresponding force (per unit length) is ≈20 pNnm (acting on the liquid core of the NJ for about 6 ps in the x>0, upward, direction), estimated by using the mass distribution of the NJ after it leaves the strong evaporation region (i.e., at the end of region II) where the mass distribution is about 3500 amunm (the corresponding radius of the liquid core of the NJ is about 2-3 nm).
    • The change in the total momentum flux (per unit length) caused by the nonuniform evaporation in the first 6 ps, the time it takes the exiting heated jet to traverse a 4 nm distance from the exit [i.e., region II in Fig., with an exit velocity of 700 ms], is about 70 amu ps2, and from the simulations we determine also that the mass per unit length (nm) enclosed by a cylindrical surface of about 6-7 nm diameter is ≈2× 104 amunm, yielding an acceleration of about 4.0× 103 nm ns2. The corresponding force (per unit length) is ≈20 pNnm (acting on the liquid core of the NJ for about 6 ps in the x>0, upward, direction), estimated by using the mass distribution of the NJ after it leaves the strong evaporation region (i.e., at the end of region II) where the mass distribution is about 3500 amunm (the corresponding radius of the liquid core of the NJ is about 2-3 nm).


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