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Prediction of Kapitza resistance at fluid-solid interfaces
Sobin Alosious,
Published in American Institute of Physics Inc.
2019
PMID: 31757152
Volume: 151
   
Issue: 19
Abstract
Understanding the interfacial heat transfer and thermal resistance at an interface between two dissimilar materials is of great importance in the development of nanoscale systems. This paper introduces a new and reliable linear response method for calculating the interfacial thermal resistance or Kapitza resistance in fluid-solid interfaces with the use of equilibrium molecular dynamics (EMD) simulations. The theoretical predictions are validated against classical molecular dynamics (MD) simulations. MD simulations are carried out in a Lennard-Jones (L-J) system with fluid confined between two solid slabs. Different types of interfaces are tested by varying the fluid-solid interactions (wetting coefficient) at the interface. It is observed that the Kapitza length decreases monotonically with an increasing wetting coefficient as expected. The theory is further validated by simulating under different conditions such as channel width, density, and temperature. Our method allows us to directly determine the Kapitza length from EMD simulations by considering the temperature fluctuation and heat flux fluctuations at the interface. The predicted Kapitza length shows an excellent agreement with the results obtained from both EMD and non-equilibrium MD simulations. © 2019 Author(s).
About the journal
JournalData powered by TypesetJournal of Chemical Physics
PublisherData powered by TypesetAmerican Institute of Physics Inc.
ISSN00219606
Open AccessNo
Concepts (17)
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    Dissimilar materials
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    Heat flux
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    Heat transfer
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    Molecular dynamics
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    Wetting
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    Classical molecular dynamics
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    EQUILIBRIUM MOLECULAR DYNAMICS
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    FLUID SOLID INTERACTION
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    Fluid-solid interfaces
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    INTERFACIAL HEAT TRANSFER
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    Interfacial thermal resistance
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    LINEAR RESPONSE METHOD
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    Temperature fluctuation
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    Heat resistance
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    Article
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    HEAT TOLERANCE
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    Prediction