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Title: Structure-pair potentials of liquid metals
Authors: Srivastava, S K
Rathore, Lavesh
Issue Date: Jul-2001
Publisher: NISCAIR-CSIR, India
Abstract: A critical discussion of the behaviour of structure-pair potentials of liquid metals has been described. A new electronic band structure approach is followed for computer simulation studies of pair potential of liquid Rb, particularly as its molecular dynamical study is already well known. A suitable Gaussian form for the electronic band structure energy function G(q) = exp (-βq2) = exp (-Aq2/kF2) is considered. The Fourier transformed quantity of unknown function G(q)/q2 has been interpreted in terms of newly introduced quantity (Ω /4πr)G(r) of real space, which explains widely the pair potential behaviour in terms of density fluctuation Δ(r) and order parameter A .The parameter A may be used in describing short range order and long range order behaviour of pair potentials of metals, respectively. The standardization of pair potential of liquid metals through computer simulation device is described by considering a number of values for variable parameter A of G(r) function as input quantity for (r) description in band structural approach. This scheme is a parallel approach to the structural approach of simulation studies of pair potential as performed through inversion scheme by Reatto l Reatto L..Phil Mag A. 58 (l988) 37l for g(r) function . An interesting result S(0)c(0)= CkB Tm between structure factor S(0) and pair potential c(0) in the region q= 0 has been described, where C is a constant.
Page(s): 438-442
ISSN: 0975-1041 (Online); 0019-5596 (Print)
Appears in Collections:IJPAP Vol.39(07) [July 2001]

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