Molecular dynamics simulation of thermal transport across a solid/liquid interface created by a meniscus

Klochko, L.; Mandrolko, Viktor; Castanet, Guillaume; Pernot, Gilles; Lemoine, Fabrice; Termentzidis, Konstantinos; Lacroix, David; Isaiev, Mykola

doi:10.1039/d2cp04601f

Cited by 1 publication

(1 citation statement)

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“…Molecular dynamics (MD) simulations have been widely deployed, with a number of studies finding G to be linearly correlated to the surface wettability. In alignment with experimental practices, some studies controlled the wettability through the implementation of SAMs, reporting a linear relationship between G and W SL . − However, a large number of MD studies investigating G opted to directly alter the solid/liquid interaction strength ε SL , rather than manipulating interfacial interactions via the SAM functional group. − Through this artificial “wettability-tuning” approach, Alexeev et al found G to be linearly correlated to W SL at graphene/water interfaces. Similarly, Ramos-Alvarado et al noted a linear relation between G and W SL at silicon/water interfaces for both crystallographic planes studied.…”

Section: Introductionmentioning

confidence: 99%

Unraveling the Regimes of Interfacial Thermal Conductance at a Solid/Liquid Interface

El-Rifai,

Perumanath,

Borg

et al. 2024

J. Phys. Chem. C

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The interfacial thermal conductance at a solid/liquid interface (G) exhibits an exponential-to-linear crossover with increasing solid/liquid interaction strength, previously attributed to the relative strength of solid/liquid to liquid/liquid interactions. Instead, using a simple Lennard-Jones setup, our molecular simulations reveal that this crossover occurs due to the onset of solidification in the interfacial liquid at high solid/liquid interaction strengths. This solidification subsequently influences interfacial energy transport, leading to the crossover in G. We use the overlap between the spectrally decomposed heat fluxes of the interfacial solid and liquid to pinpoint when “solid-like energy transport” within the interfacial liquid emerges. We also propose a novel decomposition of G into (i) the conductance right at the solid/liquid interface and (ii) the conductance of the nanoscale interfacial liquid region. We demonstrate that the rise of solid-like energy transport within the interfacial liquid influences the relative magnitude of these conductances, which in turn dictates when the crossover occurs. Our results can aid engineers in optimizing G at realistic interfaces, critical to designing effective cooling solutions for electronics among other applications.

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Section: Introductionmentioning

confidence: 99%

Unraveling the Regimes of Interfacial Thermal Conductance at a Solid/Liquid Interface

El-Rifai,

Perumanath,

Borg

et al. 2024

J. Phys. Chem. C

View full text Add to dashboard Cite

show abstract

Molecular dynamics simulation of thermal transport across a solid/liquid interface created by a meniscus

Abstract: Understandings heat transfer across a solid/liquid interface is crucial for establishing novel thermal control pathways in a range of energy applications. One of the major problems raised in this context...

Cited by 1 publication

References 48 publications

Unraveling the Regimes of Interfacial Thermal Conductance at a Solid/Liquid Interface

Unraveling the Regimes of Interfacial Thermal Conductance at a Solid/Liquid Interface

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