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This article describes the fundamental concepts of heat treatment simulation, including the physical events and their interactions, the heat treatment simulation software, and the commonly used simulation strategies. It summarizes material data needed for heat treatment simulations and discusses reliable data sources as well as experimental and computational methods for material data acquisition. The article provides information on the process data needed for accurate heat treatment simulation and the methods for their determination. Methods for validating heat treatment simulations are also discussed with an emphasis on the underlying philosophy for the selection and design of validation tests. The article also discusses the applications, capabilities, and limitations of heat treatment simulations via selected industrial case studies for a better understanding of the effect of microstructure, distortion, residual stress, and cracking in gears, shafts, and bearing rings.