Spectrally stable dispersion matching for peridynamic approximation of periodic atomistic chains

Peridynamics and atomistic lattice models both describe motion through nonlocal interactions, but a generic peridynamic kernel does not necessarily reproduce atomistic dispersion. This article constructs a spectrally stable, dispersion-matched peridynamic approximation for one-dimensional periodic chains with finite-range harmonic interactions. The finite-horizon kernel is treated as a design variable rather than prescribed as a constant micromodulus. Using the analytical Fourier symbol of the prescribed finite-range atomistic chain as the target, exact moment constraints fix the low-frequency behavior. The remaining kernel coefficients are fitted on a selected mesoscopic wavenumber band. Spectral nonnegativity is imposed independently over the full atomistic Brillouin zone, permitting sign-changing kernels while retaining linear energy stability. The analysis establishes consistency and energy estimates, a grid-based sufficient condition for continuous spectral positivity, and an L 2 dynamic error bound controlled by the resolved symbol mismatch. For a representative two-neighbor chain, the fitted kernel reduces both relative symbol error and wave-packet error by more than one order of magnitude compared with constant-kernel calibration. Parameter and spectrum sweeps quantify the effects of the fitted band, horizon, atomistic stiffnesses, and number of radial shells. A positivity ablation further shows that a small in-band fitting error can coexist with unstable modes outside the fitted band. Thus, within the linear periodic setting, a finite-horizon continuum operator can reproduce selected atomistic wave dynamics without copying the individual atomistic bonds.

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Publication Details

Journal
Mathematics and Mechanics of Solids
Published
2026-09-25
DOI
https://doi.org/10.1177/10812865261487980
Primary Topic
Numerical methods in engineering
Type
article
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Spectrally stable dispersion matching for peridynamic approximation of periodic atomistic chains

Shangyuan Zhang, Mengna Yang, Yufeng Nie
Mathematics and Mechanics of Solids
Numerical methods in engineering
article

Spectrally stable dispersion matching for peridynamic approximation of periodic atomistic chains

Shangyuan Zhang, Mengna Yang, Yufeng Nie
article en

Abstract

Peridynamics and atomistic lattice models both describe motion through nonlocal interactions, but a generic peridynamic kernel does not necessarily reproduce atomistic dispersion. This article constructs a spectrally stable, dispersion-matched peridynamic approximation for one-dimensional periodic chains with finite-range harmonic interactions. The finite-horizon kernel is treated as a design variable rather than prescribed as a constant micromodulus. Using the analytical Fourier symbol of the prescribed finite-range atomistic chain as the target, exact moment constraints fix the low-frequency behavior. The remaining kernel coefficients are fitted on a selected mesoscopic wavenumber band. Spectral nonnegativity is imposed independently over the full atomistic Brillouin zone, permitting sign-changing kernels while retaining linear energy stability. The analysis establishes consistency and energy estimates, a grid-based sufficient condition for continuous spectral positivity, and an L 2 dynamic error bound controlled by the resolved symbol mismatch. For a representative two-neighbor chain, the fitted kernel reduces both relative symbol error and wave-packet error by more than one order of magnitude compared with constant-kernel calibration. Parameter and spectrum sweeps quantify the effects of the fitted band, horizon, atomistic stiffnesses, and number of radial shells. A positivity ablation further shows that a small in-band fitting error can coexist with unstable modes outside the fitted band. Thus, within the linear periodic setting, a finite-horizon continuum operator can reproduce selected atomistic wave dynamics without copying the individual atomistic bonds.

Mathematics and Mechanics of Solids
Northwestern Polytechnical University (CN), Xi'an Polytechnic University (CN), Xi'an Institute of Optics and Precision Mechanics (CN)
Affordable and clean energy
Openalex Percentile: Top 20%
Numerical methods in engineering
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