Local thermal probe in a model molecular chain: A dissipaton-based approach
Hao-Yang Qi1, Zi-Fan Zhu2,3, Yao Wang2,3
1State Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China, Hefei, Anhui 230026, China.
Abstract:
We study a system consisting of an infinite one-dimensional model molecular chain locally coupled to a probe. Starting from the Hamiltonian of the chain-probe composite and the corresponding spectral densities, we evaluate the heat current between the probe and the chain. Inspired by the perspective of quantum dissipative dynamics, we adopt a dissipaton-based quantum approach that is nonperturbative and non-Markovian. The dissipaton algebra yields a set of hierarchically coupled equations of motion for the c-number dissipaton moments, with iterative cross-tier connections when higher-order chain-probe interactions are included. Numerical results reveal the effects of temperature, probe frequency, on-site energy modification, and higher-order couplings on heat transport.
Related Concept Videos
Thermal Sigmatropic Reactions: Overview
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in 1,5-hexadiene, referred to as...
Thermal expansion and Thermal stress: Problem Solving
To solve the problem, first, identify the known and unknown quantities. The initial length (L) of the bridge is 1275 m, the coefficient of linear expansion (α) for steel is 12 x 10-6/°C, and the change in temperature (ΔT) is 55 °C.
Thermal Strain
Temperature and Thermal Equilibrium
The concept of temperature has evolved from the common concepts of hot and cold. The scientific definition of temperature explains more than just our sense of hot and cold. Temperature is operationally defined as the quantity measured with a thermometer. Furthermore, temperature is...
Thermodynamic Potentials
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
According to Hooke's law, the vibrational frequency is directly proportional to the...


