Universality in the structural change of expanded liquid alkali metals along the liquid-vapour coexistence curve

Matsuda, Naoshi; Mori, Hideyuki; Hoshino, Kozo; Watabe, Mitsuo

doi:10.1088/0953-8984/3/7/007

Cited by 47 publications

(20 citation statements)

References 21 publications

(9 reference statements)

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“…The density values at different temperatures are taken from Refs. [21] and [22]. Temperature variations are comparatively large in cases of Na, Mg, and Al [38].…”

Section: Resultsmentioning

confidence: 99%

“…The pair potential derived from pseudopotential theory is a "constant volume" interionic potential suitable for homogeneous systems and describes ionic rearrangements at constant volume. However, Matsuda et al [22] have studied the dependence of the structure of expanded liquid alkali metals over a wide range of densities based on the effective pair potentials derived from electron-ion pseudopotential within the linear screening approximation and found excellent agreement with experimental results. Pair potential in strongly inhomogeneous system, may be described in terms of a local density [23] derived from an average over some finite distance comparable to the electronic screening length.…”

Section: Introductionmentioning

confidence: 95%

See 1 more Smart Citation

Effective Pair Interaction from Ab Initio Pseudopotentials - Importance and Applications

Haldar

Sarkar²,

Sen³

2000

Acta Phys. Pol. A

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Computation of reliable effective interionic pair interaction for simple metals has been discussed on the basis of localised ab initio pseudopotential within linear screening approximation. The influence of different commonly used screening functions on the shape of pair potential is examined and the temperature dependence of the interaction is also investigated. Various features of the potential are studied and compared with empirical and available first principle results. Importance of the present study and some related problems are also analysed.

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“…The density values at different temperatures are taken from Refs. [21] and [22]. Temperature variations are comparatively large in cases of Na, Mg, and Al [38].…”

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 95%

Effective Pair Interaction from Ab Initio Pseudopotentials - Importance and Applications

Haldar

Sarkar²,

Sen³

2000

Acta Phys. Pol. A

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“…This obser vation is consistent with the view that intra molecular dynamic effects are present in liquid expanded rubidium under these conditions. In view of the possibility that for alkali metals the dynamic units can change signifi cantly throughout the liquid range both with density and temperature, it is clear that the practice of inverting measured structure factor data.to get effective pair potentials [43,44] or to model the structure factor of expanded metals [45][46][47][48][49][50] by employing pair potentials mediated by the itinerant metal electrons hinges critically on insight into the density range in which alkali metals can be viewed as monoatomic metallic fluids. 6.…”

Section: Static and Dynamic Structurementioning

confidence: 99%

Expanded Fluid Alkali Metals.

Hensel

Hohl

1994

THE REVIEW OF HIGH PRESSURE SCIENCE AND TECHNOLOGY

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Fluid alkali metals are typical examples of materials whose electronic structures depend strongly on the thermodynamic state of the system. The most striking manifestation of this state dependence is the metal -nonmetal transition which occurs when the dense liquid evaporates to the dilute vapour or when the fluid is expanded by heating to its liquid -vapour critical point.The paper discusses equation of state data, electrical, and optical properties, and neutron scattering measurements of S( Q) and S( Q, w) with special emphasis on the change in these properties in the metal -nonmetal transition region. The shape of S( Q, w) changes considerably on approaching the transition from the high -density liquid side, indicating a change in the interparticle interaction and the molecular structure. S(Q, w) of rubidium in the density range between the melting point density and three times the critical density is characterized by the existence of well defined acoustic -phonon -like collective density excitations at high momentum transfer, whereas S(Q, w) at a density of about twice the critical density is consistent with excitations of an optic -type mode in which two species tend to move in opposite directions.[metal -nonmetal transition, supercritical fluid, alkali metal, static and dynamic structure, critical behaviour]

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“…Alkali metals are generally considered to be the simplest metals since they possess a single electron in their external shell. Nevertheless, they are still the objects of great interest [4,5] for different reasons. Their chemical reactivity makes them valuable for researches.…”

Section: Introductionmentioning

confidence: 99%

Structure and collective dynamics of liquid sodium

Patel¹,

Thakor²,

Thakore³

et al. 2006

Condens. Matter Phys.

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The temperature variation of the longitudinal and transverse phonon frequencies of liquid sodium is investigated using the approach by Hubbard Beeby. The molecular dynamics simulation is used to generate the pair correlation function of liquid sodium at various temperatures viz. T = 378 K, 473 K, 573 K, and 723 K, with 672 particles. To describe the electron-ion interaction our own model potential is employed along with a recent local field correction function due to Sarkar et al. To evaluate the parameter of the potential the zero pressure condition has been applied. The present results of g(r) are in good agreement with available experimental findings. The computed g(r) are used to investigate the temperature variation of the collective dynamics of liquid sodium. The amplitudes of the peaks of the longitudinal and transverse frequencies are suppressed while the width of the propagation gap for the transverse sound waves decreases with an increase in temperature. The computed longitudinal and transverse sound velocities at these temperatures are found to be encouraging.

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Universality in the structural change of expanded liquid alkali metals along the liquid-vapour coexistence curve

Cited by 47 publications

References 21 publications

Effective Pair Interaction from Ab Initio Pseudopotentials - Importance and Applications

Effective Pair Interaction from Ab Initio Pseudopotentials - Importance and Applications

Expanded Fluid Alkali Metals.

Structure and collective dynamics of liquid sodium

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