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Quantum Thermal Transport from Classical Molecular Dynamics

2007/06/22 by Jian‐Sheng Wang, Jian-Sheng Wang · 5 citations
Engineering · Materials Science · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Thermal Radiation and Cooling Technologies #Thermal properties of materials #cond-mat.stat-mech

paper · pdf · doi:10.1103/physrevlett.99.160601

published as Phys. Rev. Lett. 99, 160601 (2007) · 4 pages with 2 figures

arxiv created 2007/06/22 · openalex publication_date 2007/10/15 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Using a generalized Langevin equation of motion, quantum thermal transport is obtained from classical molecular dynamics. This is possible because the heat baths are represented by random noises obeying quantum Bose-Einstein statistics. The numerical method gives asymptotically exact results in both the low-temperature ballistic transport regime and the high-temperature strongly nonlinear classical regime. The method is a quasiclassical approximation to the quantum transport problem. A one-dimensional quartic on-site model is used to demonstrate the crossover from ballistic to diffusive thermal transport.

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