Genomic Materials Design: CALculation of PHAse Dynamics

TL;DR

This paper discusses the CALPHAD-based Materials Genome approach, which integrates computational design, simulation, and uncertainty management to accelerate materials development, exemplified by novel alloys for additive manufacturing.

Contribution

It presents recent advancements in CALPHAD-based materials design, including new methodologies for database expansion and successful industrial applications.

Findings

Materials design cycle reduced to under 2 years

Successful design of alloys for additive manufacturing

Enhanced database accuracy and expansion methods

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.