Application of Computational Thermodynamics to the Evolution of Surface Tension and Gibbs-Thomson Coefficient during Multicomponent Aluminum Alloy Solidification

Abstract

Numerical simulation of multicomponent alloy solidification demands accuracy of thermophysical properties in order to obtain a numerical representation as close as possible to the physical reality. Some alloy properties are only seldom found in the literature. In this paper, a solution of Butler’s formulation for surface tension is presented for Al-Cu-Si ternary alloys, allowing the Gibbs-Thomson coefficient to be calculated as a function of Cu and Si contents. The importance of the Gibbs-Thomson coefficient is related to the reliability of predictions furnished by predictive microstructure growth models and of numerical computations of solidification thermal variables that will be strongly dependent on the values of the thermophysical properties adopted in the calculations. A numerical model based on Powell hybrid algorithm and a finite difference Jacobian approximation was coupled with a ThermoCalc TCAPI interface to assess the excess Gibbs energy of the liquid phase, permitting the surface tension and Gibbs-Thomson coefficient for Al-Cu-Si hypoeutectic alloys to be calculated. The computed results are presented as a function of the alloy composition.