Aging effects on thermal conductivity of glass-forming liquids

• Published in: Physical review. E 2020-02, Vol.101 (2-1), p.022125-022125, Article 022125
• Main Authors: Bhuyan, Pranab Jyoti, Mandal, Rituparno, Chaudhuri, Pinaki, Dhar, Abhishek, Dasgupta, Chandan
• Format: Article
• Language: English
• ISSN: 2470-0045; 2470-0053
• DOI: 10.1103/PhysRevE.101.022125

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.