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Discrete-to-Continuum Limits of Long-Range Electrical Interactions in Nanostructures

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Abstract

We consider electrostatic interactions in two classes of nanostructures embedded in a three dimensional space: (1) helical nanotubes, and (2), thin films with uniform bending (i.e., constant mean curvature). Starting from the atomic scale with a discrete distribution of dipoles, we obtain the continuum limit of the electrostatic energy; the continuum energy depends on the geometric parameters that define the nanostructure, such as the pitch and twist of the helical nanotubes and the curvature of the thin film. We find that the limiting energy is local in nature. This can be rationalized by noticing that the decay of the dipole kernel is sufficiently fast when the lattice sums run over one and two dimensions, and is also consistent with prior work on dimension reduction of continuum micromagnetic bodies to the thin film limit. However, an interesting contrast between the discrete-to-continuum approach and the continuum dimension reduction approaches is that the limit energy in the latter depends only on the normal component of the dipole field, whereas in the discrete-to-continuum approach, both tangential and normal components of the dipole field contribute to the limit energy.

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Notes

  1. That is, it is convergent, while the sums of only the positive terms and only the negative terms diverge, respectively, to \(\pm \infty \).

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Acknowledgements

This paper draws from the doctoral dissertation of Prashant K. Jha at Carnegie Mellon University [24]. We thank Richard D. James for useful discussions; AFRL for hosting a visit by Kaushik Dayal; and NSF (2108784, 1921857), ARO (W911NF-17-1-0084), ONR (N00014-18-1-2528), and AFOSR (MURI FA9550-18-1-0095) for financial support.

Author information

Authors and Affiliations

  1. Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, USA

    Prashant K. Jha

  2. Air Force Research Laboratory, Wright-Patterson Air Force Base, USA

    Timothy Breitzman

  3. Department of Civil and Environmental Engineering, Carnegie Mellon University, Pittsburgh, USA

    Kaushik Dayal

  4. Center for Nonlinear Analysis, Department of Mathematical Sciences, Carnegie Mellon University, Pittsburgh, USA

    Kaushik Dayal

  5. Department of Mechanical Engineering, Carnegie Mellon University, Pittsburgh, USA

    Kaushik Dayal

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  1. Prashant K. Jha
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Correspondence to Prashant K. Jha.

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Communicated by K. Bhattacharya.

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Jha, P.K., Breitzman, T. & Dayal, K. Discrete-to-Continuum Limits of Long-Range Electrical Interactions in Nanostructures. Arch Rational Mech Anal 247, 29 (2023). https://doi.org/10.1007/s00205-023-01869-6

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