Interfacial thermal conductance between gold and SiO₂: A molecular dynamics study

ABSTRACT

Silica coating on a gold nanoparticle can improve its thermal application in cancer thermotherapy. In this paper, the interfacial thermal conductance between gold and silica is calculated utilizing classical non-equilibrium molecular dynamics. It is revealed that the results of molecular dynamics are different from what has been predicted by the conventional diffuse mismatch model. Furthermore, the interfacial thermal conductance between amorphous SiO₂ and gold is approximately twice that of crystalline silica, which is explained by calculating the vibrational density of state mismatches. The interfacial thermal conductance variations in terms of van der Waals interaction strength between gold and silica are also investigated. It is revealed that the conductance increases by about 30% by increasing the simulation temperature from 300 to 700 K. The results of this paper can be useful in nanofluid systems, in addition to the application of silica-coated gold nanoparticles in cancer thermal therapy.

KEYWORDS:

• Interface
• kapitza conductance
• heat transfer
• silica
• gold nanoparticle

Disclosure statement

No potential conflict of interest was reported by the author(s).

Data availability

The data that support the findings of this study are available from the corresponding author, upon reasonable request.