SUSTAINABLE ALLOY DESIGN: SEARCHING FOR RARE EARTH ELEMENT ALTERNATIVES THROUGH CRYSTAL ENGINEERING
Abstract
The objective of this project was to identify new chemical substitutions for rare earth elements in high temperature alloys via an informatics based alloy design strategy that captures the rational materials design strategy by integrating atomistic and multi-scale modeling with unique synthesis and characterization experiments under extreme pressure / temperature conditions. We have successfully achieved the primary goal of this project by identifying 29 new rare earth free Co-based and Ni-based superalloys. This provides for the first time a pathway for searching and identifying elemental substitutions in alloy design that now offers a means for significantly enhancing the acceleration of new critical element substitutions. This BRI sponsored project has also established a new data driven methodology tracking the collective influence of the multiple attributes of alloying elements on both thermodynamic and mechanical properties of metal alloys. The search for elemental substitutions and/or additions needed to refine metal alloy compositions and enhance their properties is a classical problem in metallurgical alloy design. A major transformative result from this project is that we have for the first time established a unified mathematical formalism for identifying the pathways of chemical design of alloys that can simultaneously capture the complexity of interactions with thermodynamics, crystal structure and microstructure.
Document Details
- Document Type
- Technical Report
- Publication Date
- Feb 26, 2016
- Accession Number
- AD1031885
Entities
People
- J. Lebeau
- Krishna Rajan
- S. Sinnott
- Shefali Saxena
Organizations
- Iowa State University