Published September 13, 2024 | Version v1
Journal article

Fast generation of spectrally shaped disorder

  • 1. Courant Institute of Mathematical Sciences, New York University, New York 10003, USA
  • 2. Center for Soft Matter Research, Department of Physics, New York University, New York 10003, USA
  • 3. Simons Center for Computational Physical Chemistry, Department of Chemistry, New York University, New York 10003, USA

Description

Media with correlated disorder display unexpected transport properties, but it is still a challenge to design structures with desired spectral features at scale. In this work, we introduce an optimal formulation of this inverse problem by means of the nonuniform fast Fourier transform, thus arriving at an algorithm capable of generating systems with arbitrary spectral properties, with a computational cost that scales O(NlogN) with system size. The method is extended to accommodate arbitrary real-space interactions, such as short-range repulsion, to simultaneously control short- and long-range correlations. We thus generate the largest-ever stealthy hyperuniform configurations in 2d (N=109) and 3d (N>107) and demonstrate the flexibility of the approach by generating structures with designed spectral features at scale. By an Ewald sphere construction we link the spectral and optical properties at the single-scattering level and show that stealthy hyperuniform structures generically display transmission gaps, providing a concrete example of fine-tuning of a physical property. We also show that large 3d power-law hyperuniformity in particle packings leads to single-scattering properties nearly identical to those of simple hard spheres. Finally, we demonstrate generalizations of the approach to impose features in either continuous or discrete real space, using constraints in either continuous or discrete reciprocal space. In particular, enforcing large spectral power at peaks with the right symmetry leads to the nondeterministic generation of quasicrystalline structures in 2d and 3d. This technique should become an essential tool to embed, and understand the role of, long-range correlations in disordered metamaterials.

Additional details

Publishing Information

Journal Title
Physical Review E
Journal Volume
110
Journal Issue
3
Journal Page Range
19 pgs.
ISSN
1089-3787

Optional Information

Copyright
©2024 American Physical Society
Notes
These authors contributed equally to this work; Contact Email: Contact author: sm7683@nyu.edu; Record automatically processed
Funding organization
Simons Center for Computational Physical Chemistry