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Computational studies of nanoscale phonon transport and interfacial scattering

机译:纳米级声子传输和界面散射的计算研究

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We use molecular-dynamics simulation of phonon wave-packets to study interfacial phonon scattering. Phonon scattering at a simple interface in a diamond-structured material is used to demonstrate the usefulness of the approach. We also present more recent results for interfacial scattering in a silicon nanowire. These preliminary results show that interfacial scattering in a nanoscale system is significantly different than scattering in the corresponding bulk system. Finally, we discuss methodological improvements in wave packet dynamics that will permit for direct comparison with experimental findings, including in the low-temperature regime where quantum effects are important.
机译:我们使用声位波浪分组的分子动力学模拟来研究界面声子散射。在钻石结构材料中的简单界面处散射声子散射用于展示该方法的有用性。我们还提出了更新的互连散射成果,用于硅纳米线中的界面散射。这些初步结果表明,纳米级系统中的界面散射比相应的散装系统中的散射显着不同。最后,我们讨论了Wave Packet Dynamics中的方法改进,该方法将允许与实验结果直接比较,包括在量子效应很重要的低温制度中。

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