Mixed mismatch model predicted interfacial thermal conductance of metal/semiconductor interface

Abstract

The acoustic mismatch model and diffuse mismatch model are widely used in the calculation of interfacial thermal conductance. These two models are respectively based on the assumption of extremely smooth and rough interfaces. Due to the great difference between the actual interface structure and the two hypotheses, the prediction of these two models deviate greatly from the actual interfacial thermal conductance. The recently proposed mixed mismatch model considers the effect of interface structure on the ratio of phonon specular transmission to diffuse scattering transmission, and the prediction accuracy is improved. However, this model requires molecular dynamics simulation to obtain phonon information at the interface. In this paper, the mixed mismatch model is simplified by introducing the measured roughness value, and the influence of interface structure on the contact area is taken into account to achieve a simple, fast and accurate prediction of interface thermal conductance. Based on this model, the interfacial thermal conductance of metals (aluminum, copper, gold) and semiconductors (silicon, silicon carbide, gallium arsenide, gallium nitride) are calculated and predicted. The results of Al/Si interface are in good agreement with the experimental results. This model is not only helpful to understand the mechanism of interface heat conduction, but also helpful to compare with the measurement results.

Enhancing the interfacial thermal conductance of Si/PVDF by strengthening atomic couplings

“…4(d). Based on the theoretical model, 13,58 the OH groups situated on the surface of modified silicon display a higher degree of matching with PVDF, resulting in an increased supply of thermal transport channels and thus enhanced ITC. However, the impact of VDOS recombination on the enhancement of ITC is relatively limited.…”

Molecular Alignment-Mediated Stick–Slip Poiseuille Flow of Oil in Graphene Nanochannels

“…Oil molecules are modeled using the polymer consistent force field, which has been widely used to simulate a broad range of organic compounds. − The Tersoff potential is employed to model the interactions between carbon atoms in the graphene substrates . The non-bond interactions between the atoms are simulated by the Lennard–Jones (L–J) potential: − E = 4 ε [ ( σ r i j ) 12 − ( σ r i j ) 6 ] where ε and σ are the energy and length constants, respectively, and r ij is the distance between two atoms i and j . For cross-species pairwise L–J interactions, the Lorentz–Berthelot rule is used: , ε i j = ε i i ε j j , σ i j = σ i i + σ j j 2 where σ ij and ε ij are the distance parameters and energy constants of the L–J potential between type i and type j atoms, respectively.…”

Thermoelectric properties of acene molecular junctions

“…近些年来，低维纳米材料的蓬勃发展为热电 输运研究注入了新的活力 [18,19] . 研究人员发现相比于传统体材料， 低维纳米材料 的量子尺寸将会使费米面附近的 Seebeck 系数增加很多 [20] ， 而同时声子界面散射 增加以及量子限制效应将导致热导率减少 [21] ，从而提升热电性能．受此启发， 纳米线 [22][23][24] 、纳米管 [25][26][27][28] 、纳米带 [29][30][31][32] 等体系中的热电性质陆续被报道. 另外， 纳米复合材料也被预测是提高热电性能的有效途径 [33][34][35] ． 在纳米热电研究领域， 石墨烯凭借迷人的物理性质已受到许多研究人员的青 睐.…”