Hard-Sphere Model for Self-Diffusion in Liquid Metals

Vadovic, Charles J.; Colver, C. Phillip

doi:10.1103/physrevb.1.4850

Cited by 15 publications

(6 citation statements)

References 5 publications

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“…[2] thus lends support to the present findings. On the other hand, for atomic diffusion, HS theory of Vadovic and Colver [31] works very well far away from the melting point in the liquid state, whereas Faber's [30] formula works better near melting temperature. Note that HS theories applied here depend only on the effective HS diameter, which is estimated from the peak position of g(r).…”

Section: Discussionmentioning

confidence: 97%

“…In general, the melting points of metals are high. Therefore, several theoretical approaches both direct and indirect (depends on other physical properties) methods have been developed for determination of transport coefficients of liquid metals [3,24,25,[29][30][31]. The advantage of those theories is revised and thoroughly discussed in ref.…”

Section: Transport Coefficients Of Liquid Metalsmentioning

confidence: 99%

“…According to Carnahan and Starling [38], the value of v m is 9.385. Equation ( 10) is derived by Vadovic and Colver [31] for diffusion coefficient and denoted as D V in this study.…”

Section: Hard Sphere Theorymentioning

confidence: 99%

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Effects of interionic pair interactions on atomic transport properties of liquid Al

et al. 2021

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The effects of parameters used for tuning the interionic pair interaction of the Ashcroft's pseudopotential model on the temperature-dependent atomic transport properties of liquid Al have been studied employing the Universal Scaling Laws (USLs) and Hard Sphere (HS) theories of liquid metals. Temperature-dependent effective HS diameter and excess entropy are the key ingredients of the applied theories. We have calculated them by using Ashcroft's empty core (EMC) pseudopotential and the variational modified hypernetted chain (VMHNC) integral equation theory of liquid. Obtained results clearly suggest that the core radius in the interaction plays a major role in determining atomic transport properties of liquid Al for both USLs and HS theory. It is also observed that USLs are more sensitive than HS theories in response to variation of core radius.

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Section: Discussionmentioning

confidence: 97%

Section: Transport Coefficients Of Liquid Metalsmentioning

confidence: 99%

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Effects of interionic pair interactions on atomic transport properties of liquid Al

et al. 2021

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“…Since the melting points of metals are usually high, experimental techniques does not provide a reproducible value rather than provide a range of data [17]. As a result, theoretical approaches both direct and indirect (depends on another physical properties) methods play important role for determination of transport coefficients [1,12,30,31,35,36,39]. The advancement of those theories from different points of view are revised and thoroughly discussed in references [24,35].…”

Section: Transport Coefficientsmentioning

confidence: 99%

“…We should note here that Isao et al [23] used three body excess entropy in USL for the calculation of diffusion coefficient. On the other hand, considering the liquid metals as liquid atoms of HS, some empirical and semi-empirical formula proposed by Faber [35] and Vadovic and Colver [36] have been used to calculate transport coefficients. The common ingredient of those theories is the HS diameter, which can also be estimated from the principal peak position of pair correlation function mentioned above [1,17,37].…”

Section: Introductionmentioning

confidence: 99%

A comparative study on atomic transport properties of liquid less-simple metals

Gosh¹,

Noor²,

Islam³

2020

Modelling Simul. Mater. Sci. Eng.

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We have studied the atomic transport properties of liquid less-simple metals namely Bi, Cd, Pb, Sb, Sn and Tl using universal scaling laws and hard sphere (HS) theories of liquid. Effective interionic interaction in metals has been derived from both Brettonet–Silbert (BS) and Ashcroft’s empty core pseudopotential models. For structure calculation, variational modified hypernetted chain integral equation theory has been considered. Excess entropy and effective HS diameter are the basic ingredients of the study. Obtained ingredients are found to be close with experimental data than any other available literature values when BS model has been chosen. Comparing with experimental data, obtained results for transport coefficients suggest that Faber’s HS theory is excellent for diffusion coefficient and is reasonably good for viscosity coefficient along with BS pseudopotential than any other combinations employed in this study. The probable reason may be the hybridization of s and d electrons exists in the concerned systems.

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Self-Motion in Liquids

Gerl

1985

Amorphous Solids and the Liquid State

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Hard-Sphere Model for Self-Diffusion in Liquid Metals

Cited by 15 publications

References 5 publications

Effects of interionic pair interactions on atomic transport properties of liquid Al

Effects of interionic pair interactions on atomic transport properties of liquid Al

A comparative study on atomic transport properties of liquid less-simple metals

Self-Motion in Liquids

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