Enhancement of interfacial thermal conductance at semiconductor/polymer interfaces induced by intercalating water layer in humidity environment

Effective thermal transport at interface of packaging materials and semiconductors is one of the crucial challenges for heat dissipation of electronic devices within complex operating environment. However, the molecular-level understanding of interfacial thermal transport between thermal interface materials and electronic devices in humid environments remains to be fully explored. In this work, the interfacial thermal transport between packaging materials and electronic devices in various humid environments was investigated utilizing molecular dynamics simulations. In a dry environment, the graphene interface exhibits superior heat transfer capabilities compared to silicon carbide (SiC). In contrast, in a humid environment, the heat conduction capability at the SiC interface is significantly enhanced, surpassing that of the graphene interface. The water molecule configurations, energy barriers of water molecules diffusion, the density of hydrogen bond, phonon density of states at two interfaces of SiC and graphene are analyzed to reveal the underlying mechanism of heat conduction at interfaces. Meanwhile, the interfacial interactions between the semiconductor interface and Kevlar as well as water molecules were modified to investigate how water confinement on surfaces with varying wettability influences interfacial thermal resistance. This work provides important insights into interfacial thermal conduction in electronic devices under humid conditions and offers guidance for designing efficient packaging materials.