Thermodynamic Analysis of the Fe-V-B Ternary Phase Diagram

Abstract

A thermodynamic analysis of the Fe-V-B ternary system has been carried out by estimating the unknown thermodynamic properties of binary and ternary borides using a first-principles method. The formation enthalpies for the (Fe, V) 2B, (Fe, V)3B2, (Fe, V)3B4, (Fe, V)B2 phases were obtained from the calculations. For the compound phases of which crystal structures were unidentified, the thermodynamic properties were determined by analyzing the experimental data for the phase diagrams. The thermodynamic functions determined by using these theoretical values, as well as the available experimental information on the phase fields successfully revealed the phase equilibria in the Fe-V-B ternary system over the entire composition and temperature ranges. © 2009 The Japan Institute of Metals.