Genomic Materials Design: CALculation of PHAse Dynamics

Abstract

The CALPHAD system of fundamental phase-level databases, now known as the Materials Genome, has enabled a mature technology of computational materials design and qualification that has already met the acceleration goals of the national Materials Genome Initiative. As first commercialized by QuesTek Innovations, the methodology combines efficient genomic-level parametric design of new material composition and process specifications with multidisciplinary simulation-based forecasting of manufacturing variation, integrating efficient uncertainty management. Recent projects demonstrated under the multi-institutional CHiMaD Design Center notably include novel alloys designed specifically for the new technology of additive manufacturing. With the proven success of the CALPHAD-based Materials Genome technology, current university research emphasizes new methodologies for affordable accelerated expansion of more accurate CALPHAD databases. Rapid adoption of these new capabilities by US apex corporations has compressed the materials design and development cycle to under 2 years, enabling a new "materials concurrency" integrated into a new level of concurrent engineering supporting an unprecedented level of manufacturing innovation.

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Cited by in corpus (5)

• Thermodynamics and its Prediction and CALPHAD Modeling: Review, State of the Art, and Perspectives
• Investigation of ideal shear strength of dilute binary and ternary Ni-based alloys using first-principles calculations, CALPHAD modeling and correlation analysis
• Efficient Structure-Informed Featurization and Property Prediction of Ordered, Dilute, and Random Atomic Structures
• Efficient Generation of Grids and Traversal Graphs in Compositional Spaces towards Exploration and Path Planning
• Building Materials Genome from Ground-State Configuration to Engineering Advance