Interatomic Core Forces Deduced From Observed Liquid Structure Factors

References

• Waseda , Y. 1980 . The Structure of Non-Crystalline Metals , New York : McGraw-Hill .
   Google Scholar
• Weeks , J. D. , Chandler , D. and Andersen , H. C. 1971 . J. Chem. Phys. , 54 : 5237 H. C. Andersen, D. Chandler and J. D. Weeks, Advan. Chem. Phys. 34, 105 (1976)
   Web of Science ®Google Scholar
• Jacobs , R. and Andersen , H. C. 1975 . Chem. Phys. , 10 : 73 Ref. 2; also, for the modified formalism of this paper, see
   Web of Science ®Google Scholar
• Meyer , A. , Silbert , M. and Young , W. H. 1980 . Chem. Phys. , 49 : 147
   Web of Science ®Google Scholar
• Silbert , M. and Young , W. H. 1976 . Phys. Lett. , 58A : 469 Some liquid metals exhibit first peak anomalies (Ref. 1) which may, in turn, reflect anomalous core behavior, K. K. Mon, N. W. Ashcroft and G. V. Chester;, Phys. Rev. B19, 5103 (1979). Since the WCA method is designed (Section III) to cope only with smoothly monotonic core potentials, such systems have been excluded from our study
   Web of Science ®Google Scholar
• Meyer , A. , Silbert , M. and Young , W. H. 1981 . Phys. Chem. Liq. , 10 : 279 A letter, has already appeared and we presented a paper at the recent LAM5 Los Angeles Conference in which the data for Pb from several sources were thus analysed
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• Jacobs , R. E. and Andersen , H. C. 1975 . Chem. Phys. , 10 : 73 This eliminates a spurious bump at low k in the WCA structure factor. Although the low k behavior is of no direct interest for present purposes, the correction has small quantitative implications for high k, as Ref. 4 demonstrates
   Web of Science ®Google Scholar
• Thiele , E. 1963 . J. Chem. Phys. , 39 : 474 a(k) and g(r) are given by the work of, M. S. Wertheim, Phys. Rev. Lett. 10, 321 (1963). Using the Appendix of Ref. 4, one may then readily verify that Y = −(1 − η)(2 + η)/9(1 + η) and μ = 72η(1 + η)(2 + η)/(1 − η)2(16 + 9η + η2)
   Web of Science ®Google Scholar
• Verlet , L. and Weis , J.-J. 1972 . Phys. Rev. , A5 : 939
   Web of Science ®Google Scholar
• Yarnell , J. L. , Katz , M. J. , Wenzel , R. G. and Koenig , S. H. 1973 . Phys. Rev. , A7 : 2130
   Web of Science ®Google Scholar
• de Graaf , L. A. and Mozer , B. 1971 . J. Chem. Phys. , 55 : 4967
   Web of Science ®Google Scholar
• Ashcroft , N. W. and Langreth , D. C. 1967 . Phys. Rev. , 156 : 685
   Web of Science ®Google Scholar
• Silbert , M. and Young , W. H. 1981 . J. Phys. , C14 : 2425
   Google Scholar
• The fit is significantly poorer than for Ni (Figure 7) and Eu (Figure 9)
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• In principle, these potentials are density dependent so we are really sampling different curves at different temperatures and, in particular, the tangents u'([sgrave]) will not precisely give the slope of u([sgrave]) versus ([sgrave]). But the effect is probably insignificant because of the small density variations involved and, in practice, is swamped by the larger experimental errors which we believe to be principally responsible for the random features of Figures 4 and 6
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• This argument is the same as that of Ref. 12 except here we use k B ΔT rather than 3/2 of this value in view of our comments in Section III
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• If we discount the highest temperature case shown in Figure 8, the different answers obtainable from those data for Ni at 2173 K do not vary sufficiently to suggest to us that the general trend shown in Figure 9 can be thus prejudiced
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• Waseda , Y. and Tamaki , S. 1975 . Phil. Mag. , 32 : 273 J. Phys. F7, L151 (1977)
   Google Scholar