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Estimation of Enthalpy of Formation of Liquid Transition Metal Alloys: A Modified Prescription Based on Macroscopic Atom Model of Cohesion

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Abstract

The enthalpy of formation Δo H f is an important thermodynamic quantity, which sheds significant light on fundamental cohesive and structural characteristics of an alloy. However, being a difficult one to determine accurately through experiments, simple estimation procedures are often desirable. In the present study, a modified prescription for estimating Δo H Lf of liquid transition metal alloys is outlined, based on the Macroscopic Atom Model of cohesion. This prescription relies on self-consistent estimation of liquid-specific model parameters, namely electronegativity (ϕ L) and bonding electron density (n Lb ). Such unique identification is made through the use of well-established relationships connecting surface tension, compressibility, and molar volume of a metallic liquid with bonding charge density. The electronegativity is obtained through a consistent linear scaling procedure. The preliminary set of values for ϕ L and n Lb , together with other auxiliary model parameters, is subsequently optimized to obtain a good numerical agreement between calculated and experimental values of Δo H Lf for sixty liquid transition metal alloys. It is found that, with few exceptions, the use of liquid-specific model parameters in Macroscopic Atom Model yields a physically consistent methodology for reliable estimation of mixing enthalpies of liquid alloys.

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Acknowledgments

The authors acknowledge Dr. A. K. Bhaduri, Director, Metallurgy and Materials Group, and Dr. S. A. V. Satya Murty, Director, IGCAR, for their kind support and encouragement during the course of this study. One of the authors (S.R) wishes to dedicate this paper to the memory of Professor G. N. K. Iyengar, of the Department of Materials, Indian Institute of Science, Bengaluru, India.

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  1. Calorimetry & Materials Modeling Section, Metallurgy and Materials Group, Indira Gandhi Centre for Atomic Research (IGCAR), Kalpakkam, 603102, India

    Subramanian Raju (Head)

  2. Microscopy and Thermophysical Properties Division, Metallurgy and Materials Group, Indira Gandhi Centre for Atomic Research (IGCAR), Kalpakkam, 603102, India

    Saroja Saibaba (Head)

  3. Homi Bhabha National Institute (HBNI), Mumbai, India

    Saroja Saibaba (Head)

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Raju, S., Saibaba, S. Estimation of Enthalpy of Formation of Liquid Transition Metal Alloys: A Modified Prescription Based on Macroscopic Atom Model of Cohesion. Metall Mater Trans A 47, 4741–4759 (2016). https://doi.org/10.1007/s11661-016-3620-6

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  • DOI: https://doi.org/10.1007/s11661-016-3620-6

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