Crystal nucleation rates in one-component Yukawa systems

Nucleation in the supercooled Yukawa system is relevant for addressing current challenges in understanding a range of crystallizing systems including white dwarf (WD) stars. We use both brute force and seeded molecular dynamics simulations to study homogeneous nucleation of crystals from supercooled Yukawa liquids. With our improved approach to seeded simulations, we obtain quantitative predictions of the crystal nucleation rate and cluster size distributions as a function of temperature and screening length. These quantitative results show trends towards fast nucleation with short-ranged potentials. They also indicate that for temperatures T>0.9T_{m}, where T_{m} is the melt temperature, classical homogeneous nucleation is too slow to initiate crystallization but transient clusters of ∼100 particles should be common. We apply these general results to a typical WD model and obtain a delay of ∼0.6 Gyr in the onset of crystallization that may be observable.

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Publication Details

Journal
Physical review. E
Published
2025-02-21
DOI
https://doi.org/10.1103/physreve.111.025206
Citations
2
Primary Topic
Material Dynamics and Properties
Type
article
Field-Weighted Citation Impact
1.04

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article

Crystal nucleation rates in one-component Yukawa systems

S. X. Hu, B. Arnold, Jérôme Daligault, D. Saumon et al.
2 citations
Physical review. E
Material Dynamics and Properties
1.04
article

Crystal nucleation rates in one-component Yukawa systems

S. X. Hu, B. Arnold, Jérôme Daligault, D. Saumon, Antoine Bédard
article en
2 citations

Abstract

Nucleation in the supercooled Yukawa system is relevant for addressing current challenges in understanding a range of crystallizing systems including white dwarf (WD) stars. We use both brute force and seeded molecular dynamics simulations to study homogeneous nucleation of crystals from supercooled Yukawa liquids. With our improved approach to seeded simulations, we obtain quantitative predictions of the crystal nucleation rate and cluster size distributions as a function of temperature and screening length. These quantitative results show trends towards fast nucleation with short-ranged potentials. They also indicate that for temperatures T>0.9T_{m}, where T_{m} is the melt temperature, classical homogeneous nucleation is too slow to initiate crystallization but transient clusters of ∼100 particles should be common. We apply these general results to a typical WD model and obtain a delay of ∼0.6 Gyr in the onset of crystallization that may be observable.

Physical review. EVol. 111(2)
Los Alamos National Laboratory (US), University of Warwick (GB), Energetics (United States) (US), University of Rochester (US)
U.S. Department of Energy, National Nuclear Security Administration, Los Alamos National Laboratory
Openalex Percentile: Top 28%
Material Dynamics and Properties
1.04
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