| (A) Molecular
dynamics simulations of a propane nanojet formed through injection
into vacuum through a convergent 3-D gold nozzle. (The upper solid
gold walls were removed to expose the interior of the nozzle). The
sequence of configurations depicts the initial exit of the propane
fluid (10 ps) and wetting of the outside surface of the nozzle to
form a thin adsorbed propane film, accompanied by swelling of the
exiting fluid propane jet near the nozzle exit. The jet achieves a
flow velocity of 200 meters/sec and is accompanied by evaporative
cooling, with steady state achieved at about 1 ns. The propane molecules
are depicted in blue; the gold atoms are in yellow.
(B) Evolution of the propane nanojet along the
direction of propagation after exit from the nozzle. Formation of
fast moving droplets and molecular clusters is observed at the initial
(transient) state, achieving steady-state flow conditions. Molecular
evaporation and formation of necking instabilities are observed,
leading to breakup events and formation of drops. At pinch-off,
the droplets are of elongated ellipsoidal shape and they round-up
shortly after.
In the inset, the time evolution of the intact
length of the jet is shown. Each saw-tooth discontinuity corresponds
to a pinch off of a drop.
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(A-C) Selected atomistic configurations obtained
via molecular dynamics simulations with a wetting 6 nm diamater
nozzle, illustrating various breakup scenarios. In each frame, two
consecutive times are shown. The most frequently observed breakup
process, exhibiting close to pinch-off formation of an axis-symmetric
double-cone shape of the neck, is displayed in (B).
Also shown is (A) occasional formation of a non-axisymmetric
neck-configuration or (C) generation of a somewhat elongated neck
resulting in split-off of a small cluster. (D) Results pertaining
to breakup events of the propane jet for the above non-wetting nozzle
obtained via an atomistic molecular dynamics simulation (top); a
simulation using the deterministic lubrication equations LE; a simulation
of the stochastic LE, SLE. Note the double-cone neck shapes exhibited
in the MD and SLE simulation, on contrast to the long thread obtained
with the LE. (E) shows the time evolution of the intact jet length
L (upper curve) and for the minimal jet radius (bottom curve).
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