Analytic functions for calculating binary alloys of FCC metals

Abstract

The problem studied in this paper is that of obtaining appropriate electron density function and a pair potential function for an FCC metal within the EAM format. The approach adopted is to use the experimental dilute limit heats of solution of the binary alloys of FCC metals as input parameters into Johnson analytical model, (Phys. Rev. B. Vol. 39 12554 (1989) [1]), for calculating the dilute limit heats of solution; and to try to determine the needed functions consistently. The functions that emerge from this approach satisfy the experimental information used as input and Johnson\'s equation for this same quantity, but they do not support the assumption, often employed in literature, of a single exponentially decreasing function of r for these functions. This then constitutes our explanation for the hitherto observed discrepancy between theory and experiment. [See references 1 and 3].

JONAMP Vol. 11 2007: pp. 435-444