论文标题
无定形超电子系统中的热传递
Thermal Transfer in Amorphous Superionic Systems
论文作者
论文摘要
使用直接的原子模拟，表征了振动散射时间尺度，然后在示例系统LI2中研究了热激发的性质和定量重量，从其无定形固态到其部分固体的部分溶液和液态。对于在300 K处的无定形固态，振动散射时间范围为几秒钟到几秒钟。结果，进程和漫射剂都是主要的热载体，并在很大程度上有助于总热导率。振动之间散射的增强，振动和由于温度升高而引起的自由离子流动，将导致散射时间尺度和声学振动导热性的散射时间大大减少，即在300 k至0.56 w/mk的0.56 W/mk的0.8 w/mk中，在700 k的局部液体液体中，在700 k的局部液体中，均可贡献的一半。病毒术语和自由离子流之间通常被忽略的互相关的结果。振动散射时间可以与〜1.5 picseconds一样大，并且将振动电导率降低至仍然显着的0.42 w/mk，突出了1100 k液体LI2的声学横向和纵向振动的意外作用。在同一温度下，对流热传递为0.63 w/mk的对流传输时，对流热传递。我们的研究提供了对从固体到液体的无定形材料中的热激发的基本理解。
Using direct atomic simulations, the vibration scattering time scales are characterized, and then the nature and the quantitative weight of thermal excitations are investigated in an example system Li2S from its amorphous solid state to its partial-solid partial-liquid and, liquid states. For the amorphous solid state at 300 K, the vibration scattering time ranges a few femtoseconds to several picoseconds. As a result, both the progagons and diffusons are the main heat carriers and contribute largely to the total thermal conductivity. The enhancement of scattering among vibrations and between vibrations and free ions flow due to the increase of temperature, will lead to a large reduction of the scattering time scale and the acoustic vibrational thermal conductivity, i.e., 0.8 W/mK at 300 K to 0.56 W/mK in the partial solid partial liquid Li2S at 700 K. In this latter state, the thermal conductivity contributed by convection increases to the half of the total, as a result of the usually neglected cross-correlation between the virial term and the free ions' flow. The vibrational scattering time can be as large as ~ 1.5 picoseconds yet, and the vibrational conductivity is reduced to a still significant 0.42 W/mK highlighting the unexpected role of acoustic transverse and longitudinal vibrations in liquid Li2S at 1100 K. At this same temperature, the convection heat transfer takes overreaching 0.63 W/mK. Our study provides a fundamental understanding of the thermal excitations at play in amorphous materials from solid to liquid.
