Abstract
Various characteristics of a thin liquid film in its vapor-phase are investigated using the molecular dynamics technique. Local distributions of the temperature, density, normal and tangential pressure components, and stress are calculated for various film thicknesses and temperature levels. Distributions of local stresses change considerably with respect to film thicknesses, and interfacial regions on both sides of the film start to overlap with each other as the film becomes thinner. Integration of the local stresses, i.e., the surface tension, however, does not vary much regardless of the interfacial overlap. The minimum thickness of a liquid film before rupturing is estimated with respect to the calculation domain sizes and is compared with a simple theoretical relation.
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Abbreviations
- di :
-
Interface thickness
- F:
-
Force
- kb :
-
Boltzmann constant
- L:
-
Simulation domain size
- m:
-
Molecular mass
- n:
-
Number density
- N:
-
Total number of molecules
- ?:
-
Pressure
- r:
-
Molecular position
- rc :
-
Cutoff radius
- rij :
-
Inter-distance between moleculesi andJ
- t:
-
Time
- T:
-
Temperature
- υ:
-
Velocity
- z:
-
Direction normal to the film
- Zo :
-
Parameter for a fitting function
- γ:
-
Surface tension
- ε:
-
Energy parameter
- σ:
-
Length parameter
- Φ:
-
Potential function
- *:
-
Dimensionless
- f:
-
Film
- I:
-
Intermolecular
- K:
-
Kinetic
- n:
-
Normal
- sl:
-
Slab
- t:
-
Tangential
- x,y,z:
-
Directions in rectangular coordinate
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Lee, J., Park, S., Kwon, O. et al. Characterization of thin liquid films using molecular dynamics simulation. KSME International Journal 16, 1477–1484 (2002). https://doi.org/10.1007/BF02985141
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DOI: https://doi.org/10.1007/BF02985141