Microscopic collective dynamics of water

Khusnutdinoff, R. M.

doi:10.1134/s1061933x16010099

Cited by 4 publications

(5 citation statements)

References 36 publications

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“…Unlike the case of a simple liquid, these Fourier images cannot be approximated by a single peak, since they also demonstrate a shoulder at higher frequencies. This is consistent with the results for water obtained in references [40,41]. In the present paper we consider the frequencies of the main peak only as it is the most powerful process in the system.…”

Section: Liquid Siliconsupporting

confidence: 91%

“…The SW model is fitter to reproduce a number of properties of water in the vicinity of the melting line [25]. Although the excitation frequencies were not included in the fitting properties, SW model of water reproduces them quite well at T = 300 K and ambient pressure [41]. However, such a crude model cannot give precise results far from the region where it was fitted, which can be seen, for instance from the location of the Frenkel temperature which is between 300 and 400 K for the SW model of water, 460 K for the SPC/E model [44] and 520 K for the TIP4P/2005 model [45].…”

Section: Watermentioning

confidence: 99%

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Dispersion of acoustic excitations in tetrahedral liquids

Fomin¹

2020

J. Phys.: Condens. Matter

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Investigation of the longitudinal and transverse excitations in liquids is of great importance for understanding the fundamentals of the liquid state of matter. One of the important questions is the temperature and density dependence of the frequency of the excitations. In our recent works it was shown that while in simple liquids the frequency of longitudinal excitations increases when the temperature is increased isochorically, in water the frequency can anomalously decrease with the temperature increase. In the present manuscript we study the dispersion curves of longitudinal and transverse excitations of water and liquid silicon modelled by Stillinger-Weber (SW) potential. We show that both in liquid silicon and SW model of water the frequencies of longitudinal excitations slightly increase with temperature which is in contrast to the results for SPC/E model of water.

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Section: Liquid Siliconsupporting

confidence: 91%

Section: Watermentioning

confidence: 99%

Dispersion of acoustic excitations in tetrahedral liquids

Fomin¹

2020

J. Phys.: Condens. Matter

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“…Moreover, all (experimental and simulation) results indicate the presence of the so-called positive dispersion effect [5] in the microscopic region under study: the values of ω c (k) exceed the values predicted by the usual hydrodynamic theory with a linear dispersion [29], and a sound velocity c s = 4554 m/s. Figure 4 presents the calculated memory functions for liquid lithium at T = 475 K obtained with help of the relations (7) and (12) based on the data of molecular dynamics simulation. In Fig.…”

Section: Simulation Results and Numerical Calculationsmentioning

confidence: 99%

“…Dynamic correlations are described by the corresponding time correlation functions (TCF), which can be obtained from spectroscopic experiments (experiments on scattering of light and neutrons, inelastic X-ray scattering, etc. ), and molecular dynamics simulations [5][6][7]. In the memory function formalism of Zwanzig-Mori, the time evolution of the TCF is associated with the so-called memory functions with the help of an infinite chain of integro-differential equations of the non-Markovian type.…”

Section: Introductionmentioning

confidence: 99%

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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“…This is consistent with the results for water obtained in Refs. [37,38] In the present paper we consider the frequencies of the main peak only as it is the most powerful process in the system.…”

Section: Liquid Siliconmentioning

confidence: 99%

Dispersion of acoustic excitations in tetrahedral liquids

Fomin

2019

Preprint

View full text Add to dashboard Cite

Investigation of the longitudinal and transverse excitations in liquids is of great importance for understanding the fundamentals of the liquid state of matter. One of the important questions is the temperature and density dependence of the frequency of the excitations. In our recent works it was shown that while in simple liquids the frequency of longitudinal excitations increases when the temperature is increased isochorically, in water the frequency can anomalously decrease with the temperature increase. In the present manuscript we study the dispersion curves of longitudinal and transverse excitations of water and liquid silicon modelled by Stillinger-Weber potential. We show that both substances demonstrate the anomaly of the dispersion curves, but it the case of water it is more pronounced.

show abstract

Microscopic collective dynamics of water

Cited by 4 publications

References 36 publications

Dispersion of acoustic excitations in tetrahedral liquids

Dispersion of acoustic excitations in tetrahedral liquids

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

Dispersion of acoustic excitations in tetrahedral liquids

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