Chapter 4 - Alloy Design in the Twenty-First Century: ICME and Materials Genome Strategies

Abstract

In recent years, there has been intense activity in the prediction of phases formed in high-entropy alloys through various means, and strategies based on integrated computational materials engineering (ICME) are taking prominent position in comparison to parametric approaches. While parametric approaches discussed in Chapter 3 are useful in rationalizing the phase obtained in high-entropy alloys and can also be useful in identifying the window of parameters that can lead to the formation of high-entropy alloys with a particular structure, the computational methods can be more predictive in nature. Among the computational approaches, the most prominent ones are CALPHAD method, ab-initio calculations, molecular dynamics and Monte Carlo simulations, and phase-field modeling. This chapter gives an account of the status of these approaches in the high-entropy alloys research.