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3. Heat flow
The existence of heat flow is due to the presence of spatial temperature inhomogeneities, which reflect a situation of thermodynamic non-equilibrium. At space scales that can be simulated in molecular dynamics, the calculation of a heat flux gives access to the thermal transport number through various techniques that will be described in paragraph 4 .
The expression for heat flow was established only belatedly by Irving and Kirkwood...
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Heat flow
Thermal conductivity
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