Calculation of thermal-diffusion coefficients from plane-wave fluctuations in the heat energy density

Journal Article · Tue Mar 01 04:00:00 EST 1994 · Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics; (United States)

DOI:https://doi.org/10.1103/PhysRevE.49.2049· OSTI ID:5202019

Palmer, B J ^[1]

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1. Analytic Sciences Department, Pacific Northwest Laboratory, Richland, Washington 99352 (United States)

A method to calculate the thermal diffusivity [ital D][sub [ital T]] from spontaneous fluctuations in the local heat energy density is presented. Calculations of the thermal diffusivity are performed for the Lennard-Jones fluid, carbon dioxide, and water. The results for the Lennard-Jones fluid are in agreement with calculations of the thermal conductivity using Green-Kubo relations and nonequilibrium molecular-dynamics techniques. The results for carbon dioxide and water give thermal diffusivities within a factor of 2 of the experimental values.

• DOE Contract Number: AC06-76RL01830
• OSTI ID: 5202019
• Journal Information: Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics; (United States), Journal Name: Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics; (United States) Vol. 49:3; ISSN PLEEE8; ISSN 1063-651X
• Country of Publication: United States
• Language: English

Related Subjects

665000* -- Physics of Condensed Matter-- (1992-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CALCULATION METHODS
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON OXIDES
CHALCOGENIDES
ENERGY
ENERGY DENSITY
FLUCTUATIONS
FLUIDS
HEAT
HYDROGEN COMPOUNDS
LENNARD-JONES POTENTIAL
LIQUIDS
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
POTENTIALS
THERMAL DIFFUSIVITY
THERMODYNAMIC PROPERTIES
VARIATIONS
WATER