Structure of liquid Na-K alloys

Abstract:The procedure suggested previously for the description of the square-well (SW) fluid within the framework of the mean spherical approximation is applied to calculate the structure factors of pure Na, pure K, and 0.5Na-0.5K alloy in liquid state. It is shown that our variations of the SW depth and SW width enable us to achieve a good agreement between calculated and experimental structure factors. The procedure under consideration gives more accurate results than the random phase approximation for the same values of the SW parameters.PACS (

show abstract

“…5 shows that the results obtained in our approach are more accurate than those for the RPA. (1: RPA; 2: our approach; 3: experiment [25]). …”

Section: Resultsmentioning

confidence: 99%

Structure factors of binary liquid metal alloys within the square-well model

et al. 2009

View full text Add to dashboard Cite

show abstract

“…Fig. 4 Total x-ray structure factors S(q) for the liquid Na 0.3 K 0.7 , Na 0.5 K 0.5 , and Na 0.7 K 0.3 alloys at T = 373 K in comparison with experimental data [33,34] Table 2 Scaled diffusion coefficients, total excess entropies, and inter-diffusion coefficients for Liquid Na x K 12x alloys are together with available the other calculated data [23] Alloy D* (10 23 ) S T (k B ) D (a) Taken from Wax [23] Section I: Basic and Applied Research…”

Section: Discussionmentioning

confidence: 99%

“…4 we present the total structure factors according to Eq (8) in comparison with available experimental x-ray data [33,34] for three composition of Na-K.…”

Section: Structurementioning

confidence: 99%

Structure and Inter-Diffusion Coefficients of Liquid Na x K1−x Alloys

Korkmaz

2009

J. Phase Equilib. Diffus.

View full text Add to dashboard Cite

Structure and atomic transport properties of liquid Na-K alloys are reported. Inter-diffusion coefficients of liquid Na x K 12x , alloys are calculated using scaling law proposed by Samanta et al. following Dzugutov which express the possible relationship between the excess entropy and diffusion coefficient. The interatomic interactions are described from the individual version of the electron-ion potential proposed by Fiolhais et al. The partial pair distribution functions and structure factors are calculated from the solution of Ornstein-Zernike integral equation with Rogers-Young closure. The evaluation with the composition of static structure and interdiffusion properties are discussed.

show abstract

“…In the low wave vector transfer region the dispersion curves are linear and have the characteristics of elastic waves. It is found that the first minima in the o-q curve for the longitudinal mode and the peak in the static structure factor S(q) of the liquid Na,,,K,,, alloy [24] fall on the same values of q (18 nm-'). Computer simulations and analytic calculations have demonstrated that this minimum arises from a process analogous to the umklapp-scattering in crystalline solids; the sharp first maximum in the static structure factor acts like a smeared reciprocal lattice vector.…”

Section: S)mentioning

confidence: 94%

Dynamics of Liquid Na_0.5K_0.5Alloy

Jain

Gupta

Saxena

1990

Physica Status Solidi (b)

View full text Add to dashboard Cite

An effort is made to study the motion of effective atoms in liquid Na,.,K,,, alloy in terms of velocity autocorrelation function, power spectrum, and mean square displacement analogous to the single particle motion in liquid metals employing the model developed by Glass and Rice in quasi crystalline approximation. The motions of effective atoms are also studied through the collective excitations by computing the longitudinal and transverse phonon frequencies. The results of collective excitations are in good agreement with the molecular dynamics (MD) results. Besides, results of thermodynamical properties such as isothermal bulk modulus and Debye temperature are also presented. The computed values are in good agreement with the results obtained by other theoretical calculations.Es werden Anstrengungen unternommen, um die Bewegung von effektiven Atomen in flussigen Na,,,K,,,-Legierungen mittels Geschwindigkeits-Autokorrelationsfunktion, Leistungsspektrum und mittleren Verschiebungen in Analogie zur Einpartikelbewegung in flussigen Metallen zu untersuchen, wobei das Model1 von Glass und Rice in Quasikristallnaherung benutzt wird. Die Bewegungen der effektiven Atome werden auch mit kollektiven Anregungen durch Berechnung der longitudinalen und transversalen Phononfrequenzen untersucht. Die Ergebnisse der kollektiven Anregungen sind in guter Ubereinstimmung mit Ergebnissen der Molekulardynamik (MD). Dariiberhinaus werden die thermodynamischen Eigenschaften, wie isothermer Elastizitatsmodul und Debye-Temperatur, ebenfalls angegeben. Die berechneten Werte sind in guter Ubereinstimmung mit den Ergebnissen, die durch andere theoretische Berechnungen erhalten werden. IntroductionDuring the past two decades the field of liquid state physics has seen remarkable advances both in experimental procedures and in theoretical understanding. The analysis of these liquids is complicated by the presence of many-body forces acting between the atoms and ions. Fortunately, it is possible to construct a theoretical framework that defines effective two-body potentials that are in good agreement with experimental data for the liquid state. Much of the experimental data used to investigate properties of the liquids come from X-ray and neutron scattering studies.In recent years there has been a considerable interest in the physics of liquid metals as well as liquid alloys. Numerous attempts [l to 31 have been made for the study of the structure and dynamics of these systems at their respective melting temperatures. Molecular dynamics is a recent approach to study the atomic motions in these alloys and metals. The instantaneous structure of the liquid metals or alloys can be obtained using X-ray diffraction or neutron inelastic scattering but these techniques give only time independent information about the arrangement of atoms in these systems and hence the dynamic picture could not ') Jaipur 302004, India

show abstract

Structure of liquid Na-K alloys

Cited by 14 publications

References 19 publications

Structure factors of binary liquid metal alloys within the square-well model

Structure factors of binary liquid metal alloys within the square-well model

Structure and Inter-Diffusion Coefficients of Liquid Na x K1−x Alloys

Dynamics of Liquid Na_0.5K_0.5Alloy

Contact Info

Product

Resources

About

Structure of liquid Na-K alloys

Cited by 14 publications

References 19 publications

Structure factors of binary liquid metal alloys within the square-well model

Structure factors of binary liquid metal alloys within the square-well model

Structure and Inter-Diffusion Coefficients of Liquid Na x K1−x Alloys

Dynamics of Liquid Na0.5K0.5Alloy

Contact Info

Product

Resources

About

Dynamics of Liquid Na_0.5K_0.5Alloy