Submicron droplet modeling using molecular dynamics

Lyle Norman Long, Michael Matthew Micci, Teresa L. Kaltz, Jeffrey K. Little, Brian C. Wong

Research output: Contribution to conferencePaper

4 Citations (Scopus)

Abstract

This paper discusses numerical methods appropriate for modeling submicron droplets using serial and parallel computers and presents results for both droplet evaporation and droplet collisions. The complete evaporation of a three-dimensional submicron droplet under subcritical conditions has been modelled using molecular dynamics. The two-phase system consisted of 2048 argon atoms modeled using a Lennard-Jones 12-6 potential distributed between a singlej droplet and its surrounding vapor. The system was first allowed to relax to equilibrium, then the droplet was evaporated by increasing the temperature of the vapor phase atoms at the boundaries of the system until only the vapor phase remained. The computed evaporation rate agrees with that predicted by Knudsen aerosol theory. The collision of two droplets is also modelled. Depending on the relative speed of the two droplets, the droplets either combine together into one larger droplet or disintegrate into individual atoms or clusters.

Original languageEnglish (US)
StatePublished - Jan 1 1995
Event33rd Aerospace Sciences Meeting and Exhibit, 1995 - Reno, United States
Duration: Jan 9 1995Jan 12 1995

Other

Other33rd Aerospace Sciences Meeting and Exhibit, 1995
CountryUnited States
CityReno
Period1/9/951/12/95

Fingerprint

droplet
Molecular dynamics
molecular dynamics
evaporation
vapor phases
modeling
atoms
parallel computers
binary systems (materials)
collisions
evaporation rate
aerosols
Evaporation
argon
vapors
Vapors
Atoms
collision
temperature
numerical method

All Science Journal Classification (ASJC) codes

  • Space and Planetary Science
  • Aerospace Engineering

Cite this

Long, L. N., Micci, M. M., Kaltz, T. L., Little, J. K., & Wong, B. C. (1995). Submicron droplet modeling using molecular dynamics. Paper presented at 33rd Aerospace Sciences Meeting and Exhibit, 1995, Reno, United States.
Long, Lyle Norman ; Micci, Michael Matthew ; Kaltz, Teresa L. ; Little, Jeffrey K. ; Wong, Brian C. / Submicron droplet modeling using molecular dynamics. Paper presented at 33rd Aerospace Sciences Meeting and Exhibit, 1995, Reno, United States.
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Long, LN, Micci, MM, Kaltz, TL, Little, JK & Wong, BC 1995, 'Submicron droplet modeling using molecular dynamics', Paper presented at 33rd Aerospace Sciences Meeting and Exhibit, 1995, Reno, United States, 1/9/95 - 1/12/95.

Submicron droplet modeling using molecular dynamics. / Long, Lyle Norman; Micci, Michael Matthew; Kaltz, Teresa L.; Little, Jeffrey K.; Wong, Brian C.

1995. Paper presented at 33rd Aerospace Sciences Meeting and Exhibit, 1995, Reno, United States.

Research output: Contribution to conferencePaper

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T1 - Submicron droplet modeling using molecular dynamics

AU - Long, Lyle Norman

AU - Micci, Michael Matthew

AU - Kaltz, Teresa L.

AU - Little, Jeffrey K.

AU - Wong, Brian C.

PY - 1995/1/1

Y1 - 1995/1/1

N2 - This paper discusses numerical methods appropriate for modeling submicron droplets using serial and parallel computers and presents results for both droplet evaporation and droplet collisions. The complete evaporation of a three-dimensional submicron droplet under subcritical conditions has been modelled using molecular dynamics. The two-phase system consisted of 2048 argon atoms modeled using a Lennard-Jones 12-6 potential distributed between a singlej droplet and its surrounding vapor. The system was first allowed to relax to equilibrium, then the droplet was evaporated by increasing the temperature of the vapor phase atoms at the boundaries of the system until only the vapor phase remained. The computed evaporation rate agrees with that predicted by Knudsen aerosol theory. The collision of two droplets is also modelled. Depending on the relative speed of the two droplets, the droplets either combine together into one larger droplet or disintegrate into individual atoms or clusters.

AB - This paper discusses numerical methods appropriate for modeling submicron droplets using serial and parallel computers and presents results for both droplet evaporation and droplet collisions. The complete evaporation of a three-dimensional submicron droplet under subcritical conditions has been modelled using molecular dynamics. The two-phase system consisted of 2048 argon atoms modeled using a Lennard-Jones 12-6 potential distributed between a singlej droplet and its surrounding vapor. The system was first allowed to relax to equilibrium, then the droplet was evaporated by increasing the temperature of the vapor phase atoms at the boundaries of the system until only the vapor phase remained. The computed evaporation rate agrees with that predicted by Knudsen aerosol theory. The collision of two droplets is also modelled. Depending on the relative speed of the two droplets, the droplets either combine together into one larger droplet or disintegrate into individual atoms or clusters.

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Long LN, Micci MM, Kaltz TL, Little JK, Wong BC. Submicron droplet modeling using molecular dynamics. 1995. Paper presented at 33rd Aerospace Sciences Meeting and Exhibit, 1995, Reno, United States.