Thermal conductivity of a model glass-forming system in the liquid and glass states is studied using extensive numerical simulations. We show that near the glass transition temperature, where the structural relaxation time becomes very long, the measured thermal conductivity decreases with increasing age. Second, the thermal conductivity of the disordered solid obtained at low temperatures is found to depend on the cooling rate with which it was prepared. For the cooling rates accessible in simulations, lower cooling rates lead to lower thermal conductivity. Our analysis links this decrease of the thermal conductivity with increased exploration of lower-energy inherent structures of the underlying potential energy landscape. Further, we show that the lowering of conductivity for lower-energy inherent structures is related to the high-frequency harmonic modes associated with the inherent structure being less extended. Possible effects of considering relatively small systems and fast cooling rates in the simulations are discussed.

中文翻译：

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老化对玻璃形成液导热系数的影响

使用大量的数值模拟研究了处于液态和玻璃态的模型玻璃成型系统的热导率。我们表明，在玻璃化转变温度附近（结构弛豫时间变得非常长），测得的热导率随着年龄的增长而降低。第二，发现在低温下获得的无序固体的热导率取决于其制备的冷却速率。对于模拟中可达到的冷却速率，较低的冷却速率会导致较低的导热率。我们的分析将热导率的下降与对潜在势能格局的低能量固有结构的更多探索联系起来。进一步，我们表明，低能固有结构的电导率降低与固有结构扩展较少的高频谐波模式有关。讨论了在仿真中考虑相对较小的系统和快速冷却速率的可能影响。