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广义 Lennard-Jones (-6) 流体在接近冰点时的声速。

Sound Velocities of Generalized Lennard-Jones ( - 6) Fluids Near Freezing.

机构信息

Reseash and Edicational Centre for Ion, Bauman Moscow State Technical University, 105005 Moscow, Russia.

Joint Institute for High Temperatures, Russian Academy of Sciences, 125412 Moscow, Russia.

出版信息

Molecules. 2021 Mar 16;26(6):1660. doi: 10.3390/molecules26061660.

DOI:10.3390/molecules26061660
PMID:33809810
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8002448/
Abstract

In a recent paper [S. Khrapak, Molecules , 3498 (2020)], the longitudinal and transverse sound velocities of a conventional Lennard-Jones system at the liquid-solid coexistence were calculated. It was shown that the sound velocities remain almost invariant along the liquid-solid coexistence boundary lines and that their magnitudes are comparable with those of repulsive soft-sphere and hard-sphere models at the fluid-solid phase transition. This implies that attraction does not considerably affect the magnitude of the sound velocities at the fluid-solid phase transition. This paper provides further evidence to this by examining the generalized Lennard-Jones ( - 6) fluids with ranging from 12 to 7 and demonstrating that the steepness of the repulsive term has only a minor effect on the magnitude of the sound velocities. Nevertheless, these minor trends are identified and discussed.

摘要

在最近的一篇论文[S. Khrapak, Molecules, 3498 (2020)]中,计算了常规 Lennard-Jones 系统在液-固共存时的纵波和横波速度。结果表明,声速沿液-固共存边界线几乎不变,其大小与流体-固体相变时排斥软球和硬球模型的声速相当。这意味着吸引力在流体-固体相变时对声速的大小没有显著影响。本文通过研究范围为 12 到 7 的广义 Lennard-Jones(-6)流体,进一步证明了这一点,并表明排斥项的陡峭度对声速的大小只有很小的影响。然而,这些微小的趋势已经被识别并讨论。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eaa8/8002448/06f4bd2bf1ea/molecules-26-01660-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eaa8/8002448/06f4bd2bf1ea/molecules-26-01660-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eaa8/8002448/06f4bd2bf1ea/molecules-26-01660-g001.jpg

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本文引用的文献

1
Sound Velocities of Lennard-Jones Systems Near the Liquid-Solid Phase Transition.伦纳德-琼斯系统在液-固相变附近的声速。
Molecules. 2020 Jul 31;25(15):3498. doi: 10.3390/molecules25153498.
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Note: Melting criterion for soft particle systems in two dimensions.注意:二维软粒子系统的熔化判据。
J Chem Phys. 2018 Apr 14;148(14):146101. doi: 10.1063/1.5027201.
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Note: Sound velocity of a soft sphere model near the fluid-solid phase transition.注意:软球模型在流固相变附近的声速。
J Chem Phys. 2016 Mar 28;144(12):126101. doi: 10.1063/1.4944824.
4
Probing cooperative liquid dynamics with the mean square displacement.用均方位移探究合作液体动力学。
Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Oct;90(4):042312. doi: 10.1103/PhysRevE.90.042312. Epub 2014 Oct 21.
5
Determination of the solid-fluid coexistence of the n - 6 Lennard-Jones system from free energy calculations.从自由能计算确定 n-6 Lennard-Jones 系统的固-液共存。
J Chem Phys. 2012 May 7;136(17):174502. doi: 10.1063/1.4707746.
6
Communication: Universality of the melting curves for a wide range of interaction potentials.交流:广泛相互作用势的熔解曲线的通用性。
J Chem Phys. 2011 Jun 28;134(24):241101. doi: 10.1063/1.3605659.