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Vibrational heat transport in molecular junctions is a central issue indifferent contemporary research areas like Chemistry, material science,mechanical engineering, thermoelectrics and power generation. Our model systemconsists of a chain of molecules which sandwiched between two solids that aremaintained at different temperatures. We employ quantum self-consistentreservoir model, which is built on generalized quantum Langevin equation, toinvestigate quantum effects and far from equilibrium conditions on thermalconduction at nanoscale. The present self-consistent reservoir model can easilymimic the phonon-phonon scattering mechanisms. Different thermal environmentsare modelled as (i) Ohmic, (ii) sub-Ohmic, and (iii) super-Ohmic environmentand their effects are demonstrated for the thermal rectification properties ofthe system with spring graded or mass graded feature. The behavior of heatcurrent across molecular junctions as a function of chain length, temperaturegradient and phonon scattering rate are studied. Further, our analysis revealsthe effects of vibrational mismatch between the solids phonon spectra on heattransfer characteristics in molecular junctions for different thermalenvironments.

Environment dependent vibrational heat transport in molecular Junctions : Rectification, quantum effects, vibrational mismatch