Kurnosov Arkady A, Rubtsov Igor V, Burin Alexander L
Department of Chemistry, Tulane University, New Orleans, Louisiana 70118, USA.
J Chem Phys. 2015 Jan 7;142(1):011101. doi: 10.1063/1.4905076.
We investigate ballistic vibrational energy transport through optical phonon band in oligomeric chains in the presence of decoherence. An exact solution is obtained for the excitation density in the space-time representation in the continuous limit and this solution is used to characterize the energy transport time and intensity. Three transport mechanisms are identified such as ballistic, diffusive, and directed diffusive regimes, occurring at different distances and time scales. The crossover between the two diffusive regimes is continuous, while the switch between the ballistic and diffusive mechanisms occurs in a discontinuous manner in accord with the recent experimental results on energy transport in perfluoroalkanes.
我们研究了在退相干存在的情况下，通过低聚物链中的光学声子带的弹道振动能量传输。在连续极限下，获得了时空表示中激发密度的精确解，并使用该解来表征能量传输时间和强度。确定了三种传输机制，即弹道、扩散和定向扩散模式，它们发生在不同的距离和时间尺度上。两种扩散模式之间的转变是连续的，而弹道和扩散机制之间的转换则以不连续的方式发生，这与最近关于全氟烷烃中能量传输的实验结果一致。
