Abstract
{111}<110> antiphase boundary (APB) energy of Ni3Al with varying Ti impurity concentration (x=0.1, 1, 10%) and temperature (T=400, 600, 800, 1000, 1200, 1400, 1600 K) are obtained from cluster expansion and Monte Carlo simulations within the Alloy Theoretic Automated Toolkit (ATAT) software package. This data set includes all structures generated in Monte Carlo, where the APB energy can be calculated using the apb command in ATAT.