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.
The Journal of Chemical Physics
|July 17, 2026
Summary
We investigated heat transport in a molecular chain coupled to a probe using a quantum dissipative dynamics approach. Results show how temperature and coupling details influence energy flow.
Area of Science:
- Quantum physics
- Condensed matter physics
- Statistical mechanics
Background:
- Understanding energy transport in molecular systems is crucial for nanoscale device design.
- Quantum effects significantly influence heat transfer at the molecular level.
Purpose of the Study:
- To investigate heat current between a molecular chain and a probe.
- To explore the influence of quantum dissipative dynamics on heat transport.
- To analyze the impact of system parameters on energy flow.
Main Methods:
- Developed a theoretical model for an infinite 1D molecular chain coupled to a probe.
- Employed a nonperturbative, non-Markovian dissipaton-based quantum approach.
- Derived hierarchically coupled equations of motion for dissipaton moments.
Main Results:
- Evaluated the heat current considering the system's Hamiltonian and spectral densities.
- Demonstrated the effects of temperature, probe frequency, and on-site energy modification on heat transport.
- Showcased the influence of higher-order chain-probe interactions on energy flow.
Conclusions:
- The dissipaton-based quantum approach provides a robust framework for studying quantum heat transport.
- System parameters like temperature and coupling strength critically determine heat transfer characteristics.
- Higher-order interactions introduce complex dynamics affecting energy flow in molecular chains.
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