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Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
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Published on: September 28, 2016

Onsager's real cavity model near solid interfaces.

Johannes Fiedler1, Drew F Parsons2

  • 1Department of Physics and Technology, University of Bergen, Allégaten 55, 5007 Bergen, Norway.

The Journal of Chemical Physics
|June 23, 2026
PubMed
Summary
This summary is machine-generated.

We present a new framework to calculate Casimir-Polder interactions for molecules in liquids near surfaces. This model accurately predicts how material properties and cavity shape influence these forces across different regimes.

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Area of Science:

  • Physical Chemistry
  • Surface Science
  • Condensed Matter Physics

Background:

  • The Casimir-Polder (CP) interaction describes the van der Waals forces between neutral molecules and surfaces.
  • Understanding CP forces is crucial for nanoscale phenomena in liquids, but theoretical descriptions are complex.

Purpose of the Study:

  • To develop an extended Onsager real-cavity framework for CP interactions of small molecules in dielectric liquids near planar interfaces.
  • To provide a computationally tractable and analytically transparent model for dispersion forces in complex liquid environments.

Main Methods:

  • Analytical resolution of cavity opening geometry within the Onsager framework.
  • Derivation of closed-form expressions for distance-dependent CP potentials.
  • Incorporation of experimentally determined dielectric functions and molecular polarizabilities.

Main Results:

  • Closed-form expressions capture modifications to CP interaction as molecules approach surfaces.
  • The model smoothly connects to asymptotic medium-assisted limits.
  • Quantitative predictions reveal joint influence of screening, cavity geometry, and material response on interaction magnitude and shape.

Conclusions:

  • The framework provides accurate, distance-dependent CP potentials for molecule-liquid-surface systems.
  • It offers analytical decomposition of dispersion forces, identifying physical contributions.
  • This approach serves as a baseline for interpreting dispersion interactions in complex, continuum, local-field-corrected environments.