The heat current density correlation function: sum rules and thermal conductivity

Singh, Shaminder ; Tankeshwar, K. ; Pathak, K. N. ; Ranganathan, S. (2006) The heat current density correlation function: sum rules and thermal conductivity Journal of Physics: Condensed Matter, 18 (4). pp. 1395-1401. ISSN 0953-8984

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Official URL: http://iopscience.iop.org/0953-8984/18/4/023

Related URL: http://dx.doi.org/10.1088/0953-8984/18/4/023

Abstract

Expressions for the second and fourth sum rules of the heat current density correlation function have been derived in an appropriate ensemble. The thermal conductivity of Lennard-Jones fluids has been calculated using these sum rules for the heat current density correlation function and the Gaussian form of the memory function. It is found that the results obtained for the thermal conductivity are in good agreement with the molecular dynamics simulation results over a wide range of densities and temperatures. Earlier results obtained using the energy current density correlation function are also discussed.

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