Thermal rectification at silicon-amorphous polyethylene interface

Using nonequilibrium molecular dynamics simulations, we study the thermal diode effect in a system composed of inorganic crystal and amorphous polymer by imposing a series of positive and negative heat currents. We estimate that in the limit of large heat currents, the silicon-amorphous polyethylene interfacial thermal conductance is about 19.6 and 13.5 MW/m(2) K at room temperature for heat flowing from polymer to silicon and from silicon to polymer, respectively, which results in thermal rectification of up to 45%. Vibrational analysis indicates that the origin of thermal rectification is in the strong temperature dependence of the frequency spectra of the polymer. (C) 2008 American Institute of Physics.