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THE MATERIALS CHALLENGE Using modeling and simulation tools to fill the gaps in advanced materials data. SPONSORED CONTENT For more information, contact Thermo-Calc Software at info@thermocalc.com / thermocalc.com. O ne of the emerging paradigms of materials science and engi- neering is understanding the link between composition, process, structure, property, and per- formance. The combination of ma- terial chemistry and processing will influence the microstructure, which will determine the material properties. However, alloys are complex systems where the microstructure and prop- erties are sensitive to variations in the processing conditions and chem- ical composition. Small differences in composition, particularly in terms of minor elements, can have large ef- fects on processing windows and final properties. How do I heat treat an alloy th at has been processed in a new wa y? How do I design a heat treatment pr o- cess for a novel alloy composition? What is the link between targeted material properties, composition, and thermal processing? Handbooks alone are not generally able to provide the answers to such questions as these data are typically only available for the most common alloys of a nomi- nal chemistry or a specific heat treat process. Additionally, trial and error experiments can be time consuming and costly to perform. And what about designing new alloys and material classes where the data do not even ex- ist? There are just too many variables to acquire these data experimentally. Modeling and simulation tools fill the data gaps and Thermo-Calc is a leading developer of software for computational materials engineering that answers questions like these and more. Our software products are used for both fundamental and applied re- search, such as design of new alloys, optimization of processing conditions, and prediction of material properties for use in other modeling codes. Thermo-Calc Thermo-Calc Software employs a phase-based approach to modeling ther- modynamics, phase equilibria, and ki- netics, which captures the composition and temperature dependence inherent to complex multicomponent alloys. Calculations are based on databases available for steels, Ti-, Al-, Mg-, Cu-, Ni-superalloys, high entropy alloys, re- fractory oxides, slags and other materials. Thermo-Calc can predict the amount and composition of phases as a function of chemistry and temperature; how chemistries influence phase transformation temperatures such as liquidus, solidus, A1, A3, etc; plot multi- component phase diagrams for complex alloys; predict micro-segregation during solidification; and calculate thermo- chemical data such as enthalpies, heat capacity,anddensities that canbeused in finite element codes. A new steel model library also allows users to predict Mar- tensite temperatures, Martensite frac- tions, and Pearlite growth. Add-on Modules for Diffusion and Precipitation Kinetics The Diffusion module can pre- dict the influence of chemistry and tem perature on diffusion controlled tra nsformations and how this affects mic ro-segregation during solidification, hom ogenization, the depth profiles ob- tained during carburizing and nitriding surface hardening treatments, growth and dissolution of precipitate phases, interdiffusion between coatings and substrates, diffusion in heat affected zones, etc. The Precipitation module can simulate the precipitation kinetics and size distribution of precipitate phases during non-isothermal heat treatment and predict the concurrent nucleation, growth/dissolution, and coarsening of precipitate phases, the temporal evolu- tion of particle size distributions, volume fraction, and composition of precipitate phases, and TTT and CCT diagrams. Time temperature precipitation of M₂₃C₆ in 308 stainless steel. Calculated Ms temperatures for 410 stainless composition spec range.