Determination of thermal conductivity coefficient via non-equilibrium molecular dynamics
From 13th international conference on thermal conductivity; Rolla, Missouri, USA (5 Nov 1973). The method of nonequilibrium molecular dynamics was developed to simulate dense fluid transport of momentum and energy This new method also allows determination of nonequilibrium distribution functions. The thermal conductivity coefficient was calculated for soft-spheres and Lennard- Jones atoms. For the density and temperature range investigated, the results appear to be in agreement with the Enskog rigid-sphere approximation for these systems. This is similar to the agreement with exact rigidsphere results found by Alder, Gass and Wainwright. However, this is not the case for momentum transport. The Enskog theory for shear viscosity coefficient has large deviations from exact results. The calculated Lennard -Jones excess thermal conductivity coefficient (that part above the zero density temperature dependence) agrees with the experimental argon density dependence. (auth)
- Research Organization:
- Sandia Labs., Albuquerque, N.Mex. (USA)
- DOE Contract Number:
- AT(29-1)-789
- NSA Number:
- NSA-29-026535
- OSTI ID:
- 4318495
- Report Number(s):
- SLL-74-5202; CONF-731139-1
- Resource Relation:
- Conference: 13. international conference on thermal conductivity, Rolla, Missouri, USA, 5 Nov 1973; Other Information: Orig. Receipt Date: 30-JUN-74
- Country of Publication:
- United States
- Language:
- English
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