Exact molecular dynamics and kinetic theory results for thermal transport coefficients of the Lennard-Jones argon fluid in a wide region of states

1990 ◽  
Vol 42 (2) ◽  
pp. 789-794 ◽  
Author(s):  
P. Borgelt ◽  
C. Hoheisel ◽  
G. Stell
Keyword(s):  
Molecular Dynamics ◽  
Kinetic Theory ◽  
Thermal Transport ◽  
Transport Coefficients ◽  
Wide Region ◽  
Lennard Jones

Transport coefficients of the Lennard–Jones fluid by molecular dynamics

1986 ◽  
Vol 64 (7) ◽  
pp. 773-781 ◽  
Author(s):  
D. M. Heyes
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Bulk Viscosity ◽  
Shear Viscosity ◽  
Diffusion Coefficients ◽  
Transport Coefficients ◽  
The Self ◽  
Nonequilibrium Molecular Dynamics ◽  
Self Diffusion ◽  
Lennard Jones

New nonequilibrium molecular dynamics (MD) calculations of the shear viscosity, bulk viscosity, and thermal conductivity are presented. Together with the self-diffusion coefficients obtained from equilibrium MD, the success of the Dymond–Batchinski expressions for the density and temperature dependence of these transport coefficients is demonstrated.The shear viscosity and self-diffusion coefficients are very good probes for the approach point of the solid-to-liquid phase change. The bulk viscosity and thermal conductivity are less useful in this respect.

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