Lennard-Jones fluids in cavities
Conference
·
· International Journal of Thermophysics; (USA)
OSTI ID:5551723
- Columbia Univ., New York, NY (USA)
Static and dynamic properties of Lennard-Jones particle in spherical cavities of molecular dimensions are studied by molecular dynamics (MD) simulation. The local density is a function of the radial coordinate; a layered density profile is reproduced by the iterative solution of an approximate BGY equation. The pair correlation function exhibits a broadened first-neighbor peak and a second-neighbor peak which is shifted inward from its location in the homogeneous fluid. The viscosity, as measured by the relaxation of a rotor in the cavity, is a function of the cavity radius and may actually decrease as the cavity radius decreases. This qualitative trend is reversed when the smooth cavity is replaced by a cavity with rough, molecular walls.
- OSTI ID:
- 5551723
- Report Number(s):
- CONF-880606--
- Conference Information:
- Journal Name: International Journal of Thermophysics; (USA) Journal Volume: 10:2
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
42 ENGINEERING
420400 -- Engineering-- Heat Transfer & Fluid Flow
656002* -- Condensed Matter Physics-- General Techniques in Condensed Matter-- (1987-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ATOMS
CAVITIES
COMPUTERIZED SIMULATION
CORRELATION FUNCTIONS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
DENSITY
DIFFUSION
DIMERS
FCC LATTICES
FLUID MECHANICS
FLUIDS
FUNCTIONS
HYDRODYNAMICS
ITERATIVE METHODS
LENNARD-JONES POTENTIAL
LIQUIDS
MATERIALS
MATHEMATICAL MODELS
MECHANICS
MOLECULES
MOTION
PHYSICAL PROPERTIES
POROUS MATERIALS
POTENTIALS
RELAXATION TIME
ROTATION
ROUGHNESS
SIMULATION
SURFACE PROPERTIES
420400 -- Engineering-- Heat Transfer & Fluid Flow
656002* -- Condensed Matter Physics-- General Techniques in Condensed Matter-- (1987-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ATOMS
CAVITIES
COMPUTERIZED SIMULATION
CORRELATION FUNCTIONS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
DENSITY
DIFFUSION
DIMERS
FCC LATTICES
FLUID MECHANICS
FLUIDS
FUNCTIONS
HYDRODYNAMICS
ITERATIVE METHODS
LENNARD-JONES POTENTIAL
LIQUIDS
MATERIALS
MATHEMATICAL MODELS
MECHANICS
MOLECULES
MOTION
PHYSICAL PROPERTIES
POROUS MATERIALS
POTENTIALS
RELAXATION TIME
ROTATION
ROUGHNESS
SIMULATION
SURFACE PROPERTIES