Universality of microscopic structural and dynamic features in liquid alkali metals near the melting point

Мокшин, А. В.; Хуснутдинов, Р. М.; Akhmerova, A. R.; Musabirova, A. R.

doi:10.1134/s0021364017180096

Cited by 13 publications

(13 citation statements)

References 22 publications

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“…For example, for simple dense liquids near the melting temperatures, the function g(r) is explicitly oscillating, and, instead of a direct equivalence between r m and r 0 , the following universal relation holds (see Ref. [32]):…”

Section: Microscopic Structure Of Liquid Galliummentioning

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: Microscopic Structure Of Liquid Galliummentioning

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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“…In Fig. 5b, the timescales of the relaxation processes related to the dynamical variables A(n) (n ≥ 4) are approximately equal, i.e., τ n (k) ≈ τ n+1 (k) [38]. Consequently, the dynamics of the density fluctuations in liquid lithium is characterized by some minimal time scale, which is τ min ∼ 10 −15 ÷ 10 −14 s.…”

Section: Simulation Results and Numerical Calculationsmentioning

confidence: 93%

Dynamics of Liquid Lithium Atoms: Time Scales and Dynamic Correlation Functions

Khusnutdinoff

2020

Acta Phys. Pol. A

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Memory functions of the relaxation process of the density fluctuations of the lithium melt near the melting point on the basis of molecular dynamics data are calculated. It is established that the memory functions of the first four orders for the range of wave numbers corresponding to microscopic spatial scales are characterized by oscillating behavior. The frequency characteristics of the dynamic structure factor for a wide range of wave numbers are calculated. The convergence of the relaxation parameters ∆4(k) and ∆5(k) for the range of wave numbers from the hydrodynamic regime (k → 0) to the values of k higher than the boundary of the first pseudo-Brillouin zone (for k ≈ 0.87km) are detected. The characteristic time scales of the process of structural relaxation of the density fluctuations are determined.

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“…For these metals, the various effective interatomic pair potentials were developed within the pseudopotential models [7,8]: the Ashcroft's model [9,10], the Shaw's model [11], the Price-Singwi-Tosi model [12] and the model of Fiolhais et al [13]. These pair potentials have been found to produce results for the microscopic structure properties and the transport coefficients for liquid alkali metals that are in good agreement with experimental data [14,15,16,17,18,19]. Therefore, one can expect that the thermodynamic properties of liquid alkali metals will be correctly reproduced using virial equation (2), where the potential u(r) is required as input.…”

Section: Introductionmentioning

confidence: 78%

Thermodynamics of Equilibrium Alkali Plasma. Simple and Accurate Analytical Model for Non-Trivial Case

Mokshin,

Mirziyarova

2021

Preprint

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Analytical equation of state for pure alkali metals (lithium, sodium, potassium, rubidium and cesium) in equilibrium gas phase is proposed. This equation has a simple form, generalizes the equation of state for a perfect gas and is universal for all alkali elements. It correctly reproduces the experimental data for the equilibrium gas phase over a wide range of pressures (up to ∼ 10 5 Pa) and temperatures (up to ∼ 3 • 10 3 K). On the basis of this equation of state, expressions for thermal and caloric coefficients as well as for other physical characteristics are obtained. The results of this study confirm feasibility of the principle of corresponding states in relation to the group of alkali elements.

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Universality of microscopic structural and dynamic features in liquid alkali metals near the melting point

Cited by 13 publications

References 22 publications

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

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

Dynamics of Liquid Lithium Atoms: Time Scales and Dynamic Correlation Functions

Thermodynamics of Equilibrium Alkali Plasma. Simple and Accurate Analytical Model for Non-Trivial Case

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