PAIR POTENTIAL AND STRUCTURE FACTOR OF POLYVALENT SIMPLE LIQUID METALS

1980 ◽  
Vol 41 (C8) ◽  
pp. C8-289-C8-292 ◽  
Author(s):  
H. Beck ◽  
R. Oberle
Keyword(s):  
Structure Factor ◽  
Liquid Metals ◽  
Pair Potential ◽  
Simple Liquid

Static structure factor for simple liquid metals

1999 ◽  
Vol 96 (5) ◽  
pp. 835-847 ◽  
Author(s):  
J. N. HERRERA ◽  
P. T. CUMMINGS ◽  
H. RUÍZ-ESTRADA
Keyword(s):  
Structure Factor ◽  
Liquid Metals ◽  
Simple Liquid ◽  
Static Structure Factor ◽  
Static Structure

Static Structure Factor of Non-Simple Liquid Metals Bi, Ga, Sb, and Sn

1987 ◽  
Vol 139 (2) ◽  
pp. 365-370 ◽  
Author(s):  
Xian-Wu Zou ◽  
Zhun-Zhi Jin ◽  
Ya-Jun Shang
Keyword(s):  
Structure Factor ◽  
Liquid Metals ◽  
Simple Liquid ◽  
Static Structure Factor ◽  
Static Structure

Relationship between Pair Potentials and Liquid Structure

1973 ◽  
Vol 51 (17) ◽  
pp. 1831-1839 ◽  
Author(s):  
L. E. Ballentine ◽  
J. C. Jones
Keyword(s):  
Structure Factor ◽  
Liquid Metals ◽  
Pair Potential ◽  
Liquid Structure ◽  
Main Peak ◽  
Repulsive Core ◽  
Pair Potentials ◽  
Eigenvector Analysis ◽  
Hypernetted Chain ◽  
Generalized Eigenvector

The Percus–Yevick and hypernetted chain theories are used to investigate the sensitivity of the pair potential [Formula: see text] to errors in the measured structure factor S(K) for several liquid metals and nonmetals. The linear relation between small errors, [Formula: see text], is studied by means of a generalized eigenvector analysis. Only those combinations of errors in S(K) which correspond to large eigenvalues lead to significant uncertainties in [Formula: see text]. The general form of the dominant eigenvectors was found to be the same for all liquids studied, except near the critical point. With this same exception, the following conclusions hold: Errors in S(K) for small K have by far the greatest effect on [Formula: see text]; the depth of the attractive portion of [Formula: see text] is most sensitive to errors in S(K); the repulsive core of [Formula: see text] is insensitive to errors in S(K); and the height of the main peak of S(K) has very little effect on [Formula: see text].

Thermodynamics of simple liquid metals calculated using an analytic pair potential

1991 ◽  
Vol 13 (5) ◽  
pp. 565-570
Author(s):  
T. M. A. Khajil ◽  
M. Tomak
Keyword(s):  
Liquid Metals ◽  
Pair Potential ◽  
Simple Liquid

Structure and forces in liquid metals and alloys

1987 ◽  
Vol 65 (3) ◽  
pp. 219-240 ◽  
Author(s):  
N. H. March
Keyword(s):  
Structure Factor ◽  
Alkali Metals ◽  
Surface Segregation ◽  
Liquid Metals ◽  
Pair Potential ◽  
Liquid Structure ◽  
Cooperative Effects ◽  
Inversion Procedure ◽  
Chain Approximation ◽  
Three Body

The so-called force equation relating the pair function g(r), the three-body correlation function, and the assumed pair potential [Formula: see text] is first discussed from the standpoint of extracting force fields from diffraction measurements of the structure factor of liquid metals. Recent progress has been possible in this area by making use of the modified hypernetted-chain approximation, including the bridge function.A discussion is then given that relates the bridge function to vacancy-formation energy in hot close-packed metals, and also to the structure factor of the liquid. The possible role of cooperative effects in liquid metals on the inversion procedure is considered, as is the relation between three-body direct and total correlation functions.Pressing further the relation between liquid structure just above the melting point and the hot solid, advances in the theory of freezing are considered. The so-called Verlet rule on the height of the principal peak of the structure factor at melting is considered in relation to Lindemann's Law.After a brief discussion of the relation between structure and forces in liquid-metal alloys, the theory of inhomogeneous systems used to discuss freezing is applied to liquid surfaces, and in particular to surface segregation. The final topic treated is that of the critical constants of the fluid alkali metals, where it is argued that Coulomb forces are of decisive importance.

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