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arXiv 1507.02112cond-mat.mtrl-scicond-mat.other
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纳米夹杂物对非晶硅热输运的低通滤波作用

Nano-crystalline inclusions as a low-pass filter for thermal transport in a-Si

Tanguy Damart, Valentina Giordano, Anne Tanguy

摘要:

我们使用原子模拟来研究共振声学模式,并比较不同的计算方法的声学平均自由程在非晶系统与纳米晶体球形夹杂物。我们表明,共振声学性质不是一个简单的组合中的夹杂物和非晶基体中的振动。夹杂物的存在影响的输运性质,主要是在频率范围内分离的简单散射从多个散射过程。然而,声波包的传播在空间上是不均匀的,并且表明非晶/结晶界面充当低能量通滤波器,无论振动频率如何,都减慢高动能运动。这些异质性不能捕捉的平均自由程,但他们仍然必须发挥重要作用,在热传输,从而提出了正确的建模复合系统中的热传输的问题。

英文摘要:

We use atomistic simulations to study the resonant acoustic modes and compare different calculations of the acoustic mean-free path in amorphous systems with nanometric crystalline spherical inclusions. We show that the resonant acoustic properties are not a simple combination of the vibrations in the inclusions and in the amorphous matrix. The presence of the inclusion affects the transport properties mainly in the frequency range separating simple scattering from multiple scattering processes. However, propagation of acoustic wavepackets is spatially heterogeneous and shows that the amorphous/crystalline interface acts as a low energy pass filter slowing down the high kinetic energy motion whatever the vibration frequency. These heterogeneities cannot be catched by the mean free path, but still they must play an important role in thermal transport, thus raising the question of the correct modeling of thermal transport in composite systems.

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