MOLECULAR DYNAMICS STUDY ON THE RELATIONSHIP BETWEEN DENSITY DEPLETION LENGTH AND INTERFACIAL THERMAL RESISTANCE AT NANOSTRUCTURED SURFACES

ZW Jiang and M Shibahara, HEAT TRANSFER RESEARCH, 54, 77-92 (2023).

In molecular simulations using various water models, different heat flow paths and water model properties in the vicinity of a nanostructured surface result in different interfacial thermal resistances (ITR). Utilizing the nonequilibrium classical molecular dynamics method, we numerically explore the solid-liquid ITR and density depletion length (DDL) at the nanostructured interface and the influences of pressure on them with the use of simple point charge/extended (SPC/E) and coarse grain (CG) water models. The pressure at the solid-liquid interface does not affect the temperature jump near the solid-water interface, but it does affect the ITR, which drops as the pressure increases. Regardless of whether the SPC/E or CG water models are used, nanostructured surfaces lead to various defined ITRs that can be connected to the DDL. The DDL could be used to depict ITR variations even in the case of nanostructured surfaces, including the Cassie-Baxter state.

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