Inelastic Heat Conduction in Molecular Quantum Systems

After several weeks I have challenged and learned many things about physics. This subject may be hated by many people which is understandable but there is still many things to be discovered which makes me more impatient.                                                                               The quantum heat transporters for lattice vibration, phonons, electrons and electromagnetic fluctuations which distance is very short compared with our macroscopic world. The purpose of my research is to study electron-phonon coupling effects on electronic heat transfer at molecular levels. How electron interaction work and how does it lead to phonon-mediated changes the characteristics in transport. A brief definition of thermal conductivity is defined as a ratio of energy flux and temperature gradient. Once the phonons move freely, arbitrary energy flux will be there without temperature gradient so the finite phonon velocity will not make the thermal conductivity final. So basically, the conductivity increases with temperature because the phonons carry more energy.              In this work, we used non-perturbative functions and well known formulas  in order to present atomic preciseness combining microscopic Maxwell equations and atomic Green’s function to grasp the physical picture of the transition from photon-mediated thermal radiation to phonon-mediated heat conduction at connection. That is why with the help of these formulas we have formed a scheme described as the“Ladder Model” to help understand and generate definite results.

After couple of trials the scheme above used to conclude that there is dynamics which the electron-phonon interaction on the molecule connected by  two different thermal reservoirs. This effect is thermal rectification proving that the thermal properties of molecular systems are conducted as finite temperatures and this action of molecular transport is in the presence of molecular vibrations- phonons. Appropriate graph  model of thermal conductance and temperatures easily presents that at low temperatures there is a stronger electron-phonon coupling interaction where at higher temperatures there is more dynamic phonons in the inelastic conduction process.                                                                    As for our future studies we will be contemplating high intensity heat fluxes and their disruptions, expanding used energy-domain transport preciseness onto  time-dependent development to analyze the relaxation processes in the presence of strong electron-phonon interaction effects. An important factor for future studies will be a detailed analysis of phonon sidebands onto heat conduction along with realistic biological systems due to their molecular complexities.



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