On the nature of thermal transport in organic/inorganic nanolaminates

被引:1
|
作者
Khadka, Rajan [1 ]
Keblinski, Pawel [1 ]
机构
[1] Rensselaer Polytech Inst, Dept Mat Sci & Engn, Troy, NY 12180 USA
关键词
MOLECULAR-DYNAMICS; CONDUCTANCE; CONDUCTIVITY; ENHANCEMENT; INTERFACES;
D O I
10.1063/5.0198850
中图分类号
O59 [应用物理学];
学科分类号
摘要
Using non-equilibrium molecular dynamics simulations, we investigate thermal transport in organic/inorganic Au/molecular nanolayer (MNL) nanolaminate. We examine the tunability of thermal conductivity via interfacial bonding by (i) homogeneous change of bonding strength and heterogeneous change of (ii) bond density and (iii) molecular coverage at the interface. By comparing the thermal conductivity of the nanolaminates with the interfacial thermal conductance of corresponding individual interfaces, we conclude that phenomenologically the thermal conductivity can be predicted from independent interfacial resistors connected in a series model, particularly at higher temperatures. However, interfacial thermal conductance shows a moderate increase with temperature, whereas the thermal conductivity of Au/MNL nanolaminates shows the opposite effect. We elucidate this apparent contradiction via phonon wave packet simulations at individual and multiple interface structures.
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页数:18
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