Quantum thermal transport from classical molecular dynamics

Details Quantum thermal transport from classical molecular dynamics Quantum thermal transport from classical molecular dynamics

2007-06-22

arxiv.org/abs/0706.3252v1

Phys. Rev. Lett. 99, 160601 (2007)

Physics

Condensed Matter

Statistical Mechanics

4 pages with 2 figures

Scientific paper

10.1103/PhysRevLett.99.160601

Using a generalized Langevin equation of motion, quantum ballistic 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 high-temperature strongly nonlinear classical regime. The method can be thought of as a semi-classical 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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