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In this work, we study the impact of the phonon thermal conductivity of Silver (Ag) and Gold (Au) on the interface resistance of metal-nonmetal contacts at room temperature. The thermal conductivity of both metals is determined for bulk and thin films of varying thickness using non-equilibrium molecular dynamics (NEMD) simulations. Likewise, we determine the thermal interface resistance due to phonons...
Molecular dynamics simulations (MD) and the normal mode decomposition are used to determine the phonon relaxation times of acoustical and optical modes of germanium (Ge) at 1000 K and 1 atm. The relaxation times are calculated from the temporal decay of the autocorrelation function of the total energy of each normal mode in the [100] direction. Two sets of force field parameters are used to obtain...
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