经典分子动力学中的量子热输运
Quantum thermal transport from classical molecular dynamics
摘要：
从经典分子动力学出发，利用广义朗之万运动方程，得到了量子弹道热输运方程。这是可能的，因为热浴由服从量子玻色-爱因斯坦统计的随机噪声表示。数值方法给出了低温弹道输运区和高温强非线性经典区的渐近精确结果。该方法可以被认为是量子输运问题的半经典近似。一维四次现场模型被用来证明从弹道到扩散热传输的交叉。
英文摘要：
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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