No Evidence of Anomalous Diffusion in Yukawa Crystals

Abstract Diffusion in Yukawa crystals is stochastic due to the thermally activated formation of vacancy-interstitial pairs, which have poor statistics in simulations. This makes it difficult to argue if Yukawa crystals exhibit normal diffusion, or if they could be subdiffusive or superdiffusive. To resolve this, we run a long molecular dynamics simulation of an idealized Yukawa crystal for a billion timesteps. We find no evidence of anomalous diffusion in the pure crystal, but also caution readers against overinterpretting this result as real crystals have complicated structures including grains and defects.

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Publication Details

Journal
Research Notes of the AAS
Published
2025-05-02
DOI
https://doi.org/10.3847/2515-5172/add1d2
Primary Topic
Spectroscopy and Quantum Chemical Studies
Type
article
Field-Weighted Citation Impact
0.00
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article

No Evidence of Anomalous Diffusion in Yukawa Crystals

D. Yaacoub, M. E. Caplan
Research Notes of the AAS
Spectroscopy and Quantum Chemical Studies
article

No Evidence of Anomalous Diffusion in Yukawa Crystals

D. Yaacoub, M. E. Caplan
article en

Abstract

Abstract Diffusion in Yukawa crystals is stochastic due to the thermally activated formation of vacancy-interstitial pairs, which have poor statistics in simulations. This makes it difficult to argue if Yukawa crystals exhibit normal diffusion, or if they could be subdiffusive or superdiffusive. To resolve this, we run a long molecular dynamics simulation of an idealized Yukawa crystal for a billion timesteps. We find no evidence of anomalous diffusion in the pure crystal, but also caution readers against overinterpretting this result as real crystals have complicated structures including grains and defects.

Research Notes of the AASVol. 9(5)
Illinois State University (US)
Openalex Percentile: Top 93%
Spectroscopy and Quantum Chemical Studies
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