Atomistic simulations of Au-alkane-Au junctions reveal coexisting ballistic and diffusive heat transport with conductivity diverging as L^{1/3} up to micrometer lengths at room temperature.
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A classical MD framework computes phonon spectral densities and thermal transport in anharmonic solids by matching quantum Kubo correlators, yielding non-Lorentzian spectra and experimental agreement.
citing papers explorer
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Coexisting Ballistic and Diffusive Heat Transport in Micrometer-Long Molecular Junctions
Atomistic simulations of Au-alkane-Au junctions reveal coexisting ballistic and diffusive heat transport with conductivity diverging as L^{1/3} up to micrometer lengths at room temperature.
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Lattice thermal transport from phonon spectra beyond perturbation theory
A classical MD framework computes phonon spectral densities and thermal transport in anharmonic solids by matching quantum Kubo correlators, yielding non-Lorentzian spectra and experimental agreement.