Crystal nucleation rates in one-component Yukawa systems

Arnold, B.; Daligault, J.; Saumon, D.; Bédard, Antoine; Hu, S. X.

doi:10.1103/physreve.111.025206

Crystal nucleation rates in one-component Yukawa systems

Journal Article · Fri Feb 21 00:00:00 EST 2025 · Physical Review. E

DOI:https://doi.org/10.1103/physreve.111.025206· OSTI ID:2561310

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University of Rochester, NY (United States)
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
University of Warwick, Coventry (United Kingdom)

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 > 0.9⁢T_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. As a result, 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.

View Accepted Manuscript (DOE)

Research Organization:: University of Rochester, NY (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: 89233218CNA000001; NA0004144

OSTI ID:: 2561310

Journal Information:: Physical Review. E, Journal Name: Physical Review. E Journal Issue: 2 Vol. 111; ISSN 2470-0045

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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