Generating Ultradense Jammed Ellipse Packings Using Biased SWAP.

IF 2.8 2区 化学 Q3 CHEMISTRY, PHYSICAL The Journal of Physical Chemistry B Pub Date : 2024-12-31 DOI:10.1021/acs.jpcb.4c06533
Robert S Hoy
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Abstract

Using a Lubachevsky-Stillinger-like growth algorithm combined with biased SWAP Monte Carlo and transient degrees of freedom, we generate ultradense disordered jammed ellipse packings. For all aspect ratios α, these packings exhibit significantly smaller intermediate-wavelength density fluctuations and greater local nematic order than their less-dense counterparts. The densest packings are disordered despite having packing fractions ϕJ(α) that are within less than 0.5% of that of the monodisperse-ellipse crystal [ϕxtal = π/(2√3) ≃ 0.9069] over the range 1.2 ≲ α ≲ 1.45 and coordination numbers ZJ(α) that are within less than 0.5% of isostaticity [Ziso = 6] over the range 1.2 ≲ α ≲ 2.6. Lower-α packings are strongly fractionated and consist of polycrystals of intermediate-size particles, with the largest and smallest particles isolated at the grain boundaries. Higher-α packings are also fractionated, but in a qualitatively different fashion; they are composed─of increasingly large locally nematic domains─reminiscent of liquid glasses.

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来源期刊
CiteScore
5.80
自引率
9.10%
发文量
965
审稿时长
1.6 months
期刊介绍: An essential criterion for acceptance of research articles in the journal is that they provide new physical insight. Please refer to the New Physical Insights virtual issue on what constitutes new physical insight. Manuscripts that are essentially reporting data or applications of data are, in general, not suitable for publication in JPC B.
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