Three-particle correlations in liquid and amorphous aluminium

Galimzyanov, Bulat N.; Мокшин, А. В.

doi:10.1016/j.physa.2017.02.077

Cited by 3 publications

(1 citation statement)

References 40 publications

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“…(iii) In view of the recent results of studying threeparticle correlations in liquids [46][47][48][49], it would be useful to study the effect of three-particle correlations on the extended short-range order in liquid polyvalent metals.…”

Section: Concluding Remarks and Proposalsmentioning

confidence: 99%

Extended short-range order determines the overall structure of liquid gallium

Мокшин

Khusnutdinoff

Galimzyanov

et al. 2020

Phys. Chem. Chem. Phys.

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Polyvalent metal melts (gallium, tin, bismuth, etc.) have microscopic structural features, which are detected by neutron and X-ray diffraction and which are absent in simple liquids. Based on neutron and X-ray diffraction data and results of ab initio molecular dynamics simulations for liquid gallium, we examine the structure of this liquid metal at atomistic level. Time-resolved cluster analysis allows one to reveal that the short-range structural order in liquid gallium is determined by a range of the correlation lengths. This analysis performed over set of independent samples corresponding to equilibrium liquid phase discloses that there are no stable crystalline domains as well as molecule-like Ga2 dimers typical for crystal phases of gallium. Structure of liquid gallium can be reproduced by the simplified model of the close-packed system of soft quasi-spheres. The results can be applied to analyze the fine structure of other polyvalent liquid metals. arXiv:2002.10745v1 [cond-mat.soft]

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Section: Concluding Remarks and Proposalsmentioning

confidence: 99%

Extended short-range order determines the overall structure of liquid gallium

Мокшин

Khusnutdinoff

Galimzyanov

et al. 2020

Phys. Chem. Chem. Phys.

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Physical nature of quasi-stable structures existing in antimony melt

Tsygankov,

Galimzyanov,

Mokshin

2025

Journal of Molecular Liquids

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Structure of the simple harmonic-repulsive system in liquid and glassy states studied by the triple correlation function

Levashov¹,

Ryltsev²,

Chtchelkatchev³

2020

J. Phys.: Condens. Matter

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An efficient description of the structures of liquids and, in particular, the structural changes that happen with liquids on supercooling remains to be a challenge. The systems composed of soft particles are especially interesting in this context because they often demonstrate non-trivial local orders that do not allow to introduce the concept of the nearest-neighbor shell. For this reason, the use of some methods, developed for the structure analysis of atomic liquids, is questionable for the soft-particle systems. Here we report about our investigations of the structure of the simple harmonic-repulsive liquid in 3D using the triple correlation function (TCF), i.e., the method that does not rely on the nearest neighbor concept. The liquid is considered at reduced pressure (P = 1.8) at which it exhibits remarkable stability against crystallization on cooling. It is demonstrated that the TCF allows addressing the development of the orientational correlations in the structures that do not allow drawing definite conclusions from the studies of the bond-orientational order parameters. Our results demonstrate that the orientational correlations, if measured by the heights of the peaks in the TCF, significantly increase on cooling. This rise in the orientational ordering is not captured properly by the Kirkwood’s superposition approximation. Detailed considerations of the peaks’ shapes in the TCF suggest the existence of a link between the orientational ordering and the slowdown of the system’s dynamics. Our findings support the view that the development of the orientational correlations in liquids may play a significant role in the liquids’ dynamics and that the considerations of the pair distribution function may not be sufficient to understand intuitively all the structural changes that happen with liquids on supercooling. In general, our results demonstrate that the considerations of the TCF are useful in the discussions of the liquid’s structures beyond the pair density function and interpreting the results obtained with the bond-orientational order parameters.

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Three-particle correlations in liquid and amorphous aluminium

Cited by 3 publications

References 40 publications

Extended short-range order determines the overall structure of liquid gallium

Extended short-range order determines the overall structure of liquid gallium

Physical nature of quasi-stable structures existing in antimony melt

Structure of the simple harmonic-repulsive system in liquid and glassy states studied by the triple correlation function

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