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Investigating thermal transfer at solid-liquid interfaces, this study reveals ordered water layers create phonon bridges, enhancing heat transport. Tuning surface defects offers a novel method to control interfacial thermal conductivity.

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Area of Science:

  • Surface Science
  • Thermal Physics
  • Materials Science

Background:

  • Interfacial thermal transport is crucial in many applications.
  • Factors like wettability, water density, and molecular structure influence heat transfer.
  • The dominant factors governing interfacial heat transport remain unclear.

Purpose of the Study:

  • To investigate the contributions of various factors to interfacial heat transport.
  • To explore the role of water structure on palladium surfaces in thermal transfer.
  • To introduce a method for tuning thermal transfer by modifying surface defects.

Main Methods:

  • Employed a Pd-water model to simulate water structures on Pd (100), (110), and (111) surfaces.
  • Analyzed contributions from surface wettability, interfacial water density, molecular structure, and density depletion length.
  • Utilized interfacial friction coefficient, surface potential energy, and density depletion length for explanation.
  • Introduced tuning vacancy defects on the solid surface to modify atomic and thermal properties.

Main Results:

  • Ordered water on Pd (100) creates a 'phonon bridge,' enhancing thermal transfer.
  • Partially ordered water on Pd (110) promotes thermal transfer via enhanced interfacial friction.
  • Decreased density depletion length significantly contributes to enhanced interfacial thermal transfer.
  • Tuning vacancy defects effectively modifies atomic structure and thermal transfer.

Conclusions:

  • Demonstrated a complex relationship between crystal face atomic structure, water layer structure, and thermal boundary conductance.
  • Highlighted the significant role of ordered and partially ordered water layers in improving thermal transfer.
  • Proposed tuning surface defects as an efficient strategy for optimizing interfacial thermal transport.