Simple model for the structure and thermodynamics of liquid alloys with strong chemical interactions. I. Chemical short-range order

On the Concentration Fluctuation and Ordering Potential of LiPb in the Bhatia‐Young Approach

“…The present model has in this sense some similarity with the model of Hafner et al [6] who considered these effects and also the electron gas contributions. These effects are however very small and the entropy of mixing of Li-Pb is well reproduced by simple HS considerations [25].…”

“…We next obtain W, and the model in this form closely resembles that of Hafner et al [6]. Using (1) and (3) we have W, = -4zQal2 eAUl2 G1,(Lol2), (6) where Gl2(Lal2) is the Laplace transform of HS RDF evaluated at lal2.…”

“…Using (1) and (3) we have W, = -4zQal2 eAUl2 G1,(Lol2), (6) where Gl2(Lal2) is the Laplace transform of HS RDF evaluated at lal2. Defining W* = eW,/k,T and Q* = Q/kBT we have…”

Examination of reference potentials for the molten Kx(KCl)1-xsystem by the Percus-Yevick approximation

“…The root which yields geQ(r) -[9+ +(r) -9+ _(r)]/2 = 0 inside the core was retained as the correct physical solution. The expressions for S T and Sot d are based on Carnahan and Starling [11] and Hafner et al [12], respectively. (We note that the expression for a 3 in (13) is somewhat different from the corresponding one in [12]).…”

“…The expressions for S T and Sot d are based on Carnahan and Starling [11] and Hafner et al [12], respectively. (We note that the expression for a 3 in (13) is somewhat different from the corresponding one in [12]). As a special limit of Sor ~, we get the expression for So~ which is the ordering entropy of the charged hard sphere system…”