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Casimir force and its effects on pull-in instability modelled using molecular dynamics simulations.

Avirup Sircar1, Puneet Kumar Patra2, Romesh C Batra3

  • 1Department of Mechanical Engineering, Indian Institute of Technology Kharagpur, West Bengal 721302, India.

Proceedings. Mathematical, Physical, and Engineering Sciences
|November 23, 2020
PubMed
Summary

We developed a new method to include Casimir forces in molecular dynamics (MD) simulations. This allows for accurate modeling of Casimir effects on electrode pull-in instability, improving upon previous analytical results.

Keywords:
Casimir forcescarbon nanotubesmolecular dynamics simulationspull in instability

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Area of Science:

  • Computational Physics
  • Materials Science
  • Nanotechnology

Background:

  • The Casimir effect, a quantum mechanical phenomenon, describes an attractive force between closely spaced uncharged conductive bodies.
  • Incorporating Casimir forces into atomistic simulations, such as molecular dynamics (MD), is crucial for understanding nanoscale interactions but presents significant challenges.
  • The pairwise potential energy due to the Casimir effect is typically represented as U(r) = C/r^7, where C is a material-dependent constant that is difficult to determine at the atomic scale.

Purpose of the Study:

  • To develop a novel methodology for integrating Casimir forces into the molecular dynamics (MD) framework.
  • To determine the functional form of the Casimir constant (C) for atomistic interactions.
  • To investigate the influence of Casimir forces on the pull-in instability of micro/nanoscale deformable electrodes.

Main Methods:

  • Developed a method to equate atomistic pairwise potential energy contributions with continuum scale interacting bodies of similar geometry to determine the Casimir constant (C).
  • Augmented standard MD simulations by incorporating the derived pairwise Casimir potential energy.
  • Applied the developed framework to simulate the pull-in instability of rectangular and hollow cylindrical deformable electrodes near a substrate electrode.

Main Results:

  • Successfully incorporated Casimir forces into MD simulations by determining the functional form of C.
  • MD simulations revealed qualitative agreement with existing analytical results for electrode pull-in instability.
  • Quantitative differences were observed between MD simulations and analytical predictions, highlighting the importance of the simulation approach.

Conclusions:

  • The new methodology effectively integrates Casimir forces into MD simulations, enabling the study of their impact on nanoscale phenomena.
  • The findings provide valuable insights into the behavior of deformable electrodes under the influence of Casimir forces.
  • Further investigations explored the effects of longer-ranged Casimir forces and constant temperature environments on pull-in behavior.