Multiscale Modeling of Phase Transformations in Steels

摘要: Multiscale modeling tools have great potential to aid the development of new steels and processing routes. Currently, industrial process models are at least in part based on empirical material parameters describe microstructure evolution resulting properties. Modeling across different length time scales is a promising approach develop next-generation with enhanced predictive capabilities for role alloying elements. The status challenges this multiscale discussed advanced low-carbon steels. Firstprinciple simulations solute segregation grain boundary an austenite-ferrite interface iron confirm trends important elements (e.g., Nb, Mo, Mn) growth, recrystallization, phase transformation In particular, linkage among atomistic simulations, phase-field modeling, classic diffusion illustrated effects drag austenite-to-ferrite as observed dedicated experimental studies model alloys commercial